 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer01_STD_wB97XD_augccpVDZ.in
 Output=26_junionone_conformer01_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/Gau-31770.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     31778.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=26_junionone_conformer01_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 13 10:47:05 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "26_junionone_conformer01_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.843861000000      0.588513000000      1.590318000000
  C                                                -2.018204000000      0.424265000000      0.084751000000
  C                                                -0.856893000000     -0.408703000000     -0.589828000000
  C                                                 0.485225000000     -0.407760000000      0.025693000000
  C                                                 1.609556000000      0.001394000000     -0.566648000000
  C                                                 2.918071000000     -0.019332000000      0.133614000000
  O                                                 3.039154000000     -0.402492000000      1.280585000000
  C                                                -2.305460000000      1.761314000000     -0.573782000000
  C                                                -2.977579000000     -0.750179000000     -0.258376000000
  C                                                -1.752114000000     -1.669731000000     -0.448443000000
  C                                                 4.104594000000      0.468016000000     -0.666946000000
  H                                                -3.507633000000     -0.576978000000     -1.196011000000
  H                                                -3.702742000000     -1.029046000000      0.506445000000
  H                                                -0.787609000000     -0.115682000000     -1.639725000000
  H                                                -1.511957000000     -2.231397000000      0.454425000000
  H                                                -1.756468000000     -2.357491000000     -1.292692000000
  H                                                -1.649939000000     -0.363032000000      2.087921000000
  H                                                -2.753812000000      1.008771000000      2.024721000000
  H                                                -1.016421000000      1.262039000000      1.822785000000
  H                                                -1.480256000000      2.460114000000     -0.412932000000
  H                                                -3.210529000000      2.213045000000     -0.158939000000
  H                                                -2.448800000000      1.648912000000     -1.650360000000
  H                                                 0.569847000000     -0.762540000000      1.049131000000
  H                                                 1.593223000000      0.362635000000     -1.590100000000
  H                                                 4.223011000000     -0.138714000000     -1.568854000000
  H                                                 5.009053000000      0.415379000000     -0.066038000000
  H                                                 3.937783000000      1.497147000000     -0.996563000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.843861    0.588513    1.590318
      2          6           0       -2.018204    0.424265    0.084751
      3          6           0       -0.856893   -0.408703   -0.589828
      4          6           0        0.485225   -0.407760    0.025693
      5          6           0        1.609556    0.001394   -0.566648
      6          6           0        2.918071   -0.019332    0.133614
      7          8           0        3.039154   -0.402492    1.280585
      8          6           0       -2.305460    1.761314   -0.573782
      9          6           0       -2.977579   -0.750179   -0.258376
     10          6           0       -1.752114   -1.669731   -0.448443
     11          6           0        4.104594    0.468016   -0.666946
     12          1           0       -3.507633   -0.576978   -1.196011
     13          1           0       -3.702742   -1.029046    0.506445
     14          1           0       -0.787609   -0.115682   -1.639725
     15          1           0       -1.511957   -2.231397    0.454425
     16          1           0       -1.756468   -2.357491   -1.292692
     17          1           0       -1.649939   -0.363032    2.087921
     18          1           0       -2.753812    1.008771    2.024721
     19          1           0       -1.016421    1.262039    1.822785
     20          1           0       -1.480256    2.460114   -0.412932
     21          1           0       -3.210529    2.213045   -0.158939
     22          1           0       -2.448800    1.648912   -1.650360
     23          1           0        0.569847   -0.762540    1.049131
     24          1           0        1.593223    0.362635   -1.590100
     25          1           0        4.223011   -0.138714   -1.568854
     26          1           0        5.009053    0.415379   -0.066038
     27          1           0        3.937783    1.497147   -0.996563
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.524502   0.000000
     3  C    2.592601   1.580359   0.000000
     4  C    2.977457   2.638733   1.476532   0.000000
     5  C    4.113794   3.709957   2.500417   1.335064   0.000000
     6  C    5.016718   4.956408   3.863332   2.466022   1.484253
     7  O    4.992180   5.262168   4.321766   2.845582   2.370473
     8  C    2.504369   1.517854   2.609133   3.584993   4.292403
     9  C    2.548545   1.554817   2.173425   3.491269   4.658508
    10  C    3.043785   2.177135   1.552933   2.612099   3.755989
    11  C    6.363480   6.168924   5.038942   3.787686   2.540278
    12  H    3.448208   2.204821   2.724371   4.179008   5.188086
    13  H    2.691973   2.264422   3.112153   4.261008   5.516688
    14  H    3.470553   2.186258   1.092220   2.116373   2.628992
    15  H    3.058154   2.728642   2.200406   2.738284   3.971371
    16  H    4.122902   3.115128   2.258545   3.250350   4.173919
    17  H    1.091170   2.183608   2.793089   2.968789   4.219461
    18  H    1.092398   2.155516   3.527520   4.061285   5.173875
    19  H    1.091941   2.173982   2.938967   2.876232   3.767542
    20  H    2.765522   2.163737   2.941086   3.504313   3.951692
    21  H    2.750779   2.163506   3.549483   4.534458   5.318914
    22  H    3.463003   2.166976   2.809391   3.955699   4.512095
    23  H    2.818548   3.006084   2.201584   1.086487   2.067688
    24  H    4.688243   3.981373   2.756551   2.105221   1.085457
    25  H    6.878674   6.481059   5.180426   4.072593   2.802534
    26  H    7.052370   7.028880   5.946662   4.599021   3.461008
    27  H    6.398826   6.147690   5.175579   4.073553   2.800490
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.215325   0.000000
     8  C    5.563846   6.056867   0.000000
     9  C    5.953695   6.220158   2.618935   0.000000
    10  C    4.987307   5.248970   3.477639   1.543848   0.000000
    11  C    1.512032   2.384497   6.539885   7.197785   6.238488
    12  H    6.585480   7.001742   2.701851   1.090924   2.198821
    13  H    6.707734   6.815059   3.302332   1.090220   2.264341
    14  H    4.109267   4.822301   2.638791   2.665836   2.182771
    15  H    4.961985   4.973937   4.198642   2.202303   1.090098
    16  H    5.417809   5.782886   4.216963   2.268121   1.088939
    17  H    4.980378   4.758250   3.468028   2.723531   2.855003
    18  H    6.066592   6.008648   2.742181   2.890763   3.780782
    19  H    4.469389   4.417277   2.766664   3.496626   3.780872
    20  H    5.078548   5.611379   1.093232   3.545680   4.138936
    21  H    6.529076   6.926168   1.093300   2.974029   4.157732
    22  H    5.896516   6.551056   1.091879   2.823626   3.597689
    23  H    2.627677   2.506129   4.155848   3.780735   2.908131
    24  H    2.207331   3.304084   4.264849   4.889179   4.077398
    25  H    2.148376   3.096837   6.871769   7.344368   6.269087
    26  H    2.145004   2.522461   7.454626   8.073525   7.085711
    27  H    2.148679   3.098639   6.263115   7.308736   6.534866
                   11         12         13         14         15
    11  C    0.000000
    12  H    7.701813   0.000000
    13  H    8.035704   1.772227   0.000000
    14  H    5.022017   2.794317   3.733401   0.000000
    15  H    6.331662   3.073071   2.499579   3.063722   0.000000
    16  H    6.536597   2.499230   2.964733   2.466744   1.768644
    17  H    6.433862   3.779022   2.675564   3.834076   2.485586
    18  H    7.387504   3.668237   2.712624   4.307959   3.808769
    19  H    5.749263   4.324494   3.768042   3.733557   3.784450
    20  H    5.934941   3.734622   4.237798   2.935900   4.771120
    21  H    7.537521   2.991324   3.346067   3.672361   4.797335
    22  H    6.731166   2.506421   3.660005   2.423522   4.512715
    23  H    4.117478   4.658427   4.315154   3.080756   2.616319
    24  H    2.677742   5.201626   5.863405   2.428911   4.533346
    25  H    1.093427   7.752028   8.241184   5.011174   6.431395
    26  H    1.087156   8.648442   8.849264   6.029909   7.056903
    27  H    1.093428   7.731494   8.186471   5.034303   6.760701
                   16         17         18         19         20
    16  H    0.000000
    17  H    3.926545   0.000000
    18  H    4.830284   1.761923   0.000000
    19  H    4.832687   1.764227   1.767329   0.000000
    20  H    4.905057   3.775343   3.109742   2.578557   0.000000
    21  H    4.928437   3.757658   2.535200   3.105761   1.766182
    22  H    4.081484   4.319820   3.742864   3.776787   1.768433
    23  H    3.666026   2.483172   3.890505   2.685834   4.089749
    24  H    4.325271   4.957069   5.690443   4.389414   3.902745
    25  H    6.383839   6.921984   7.931366   6.396638   6.373172
    26  H    7.413890   7.041849   8.061356   6.371093   6.812665
    27  H    6.882617   6.648078   7.358268   5.705097   5.533812
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.767148   0.000000
    23  H    4.960321   4.713235   0.000000
    24  H    5.343058   4.242180   3.046122   0.000000
    25  H    7.923140   6.907627   4.537468   2.677235   0.000000
    26  H    8.414378   7.723422   4.726272   3.740781   1.784191
    27  H    7.232737   6.421754   4.542471   2.671398   1.756392
                   26         27
    26  H    0.000000
    27  H    1.784298   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.01D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.843861    0.588513    1.590318
      2          6           0       -2.018204    0.424265    0.084751
      3          6           0       -0.856893   -0.408703   -0.589828
      4          6           0        0.485225   -0.407760    0.025693
      5          6           0        1.609556    0.001394   -0.566648
      6          6           0        2.918071   -0.019332    0.133614
      7          8           0        3.039154   -0.402492    1.280585
      8          6           0       -2.305460    1.761314   -0.573782
      9          6           0       -2.977579   -0.750179   -0.258376
     10          6           0       -1.752114   -1.669731   -0.448443
     11          6           0        4.104594    0.468016   -0.666946
     12          1           0       -3.507633   -0.576978   -1.196011
     13          1           0       -3.702742   -1.029046    0.506445
     14          1           0       -0.787609   -0.115682   -1.639725
     15          1           0       -1.511957   -2.231397    0.454425
     16          1           0       -1.756468   -2.357491   -1.292692
     17          1           0       -1.649939   -0.363032    2.087921
     18          1           0       -2.753812    1.008771    2.024721
     19          1           0       -1.016421    1.262039    1.822785
     20          1           0       -1.480256    2.460114   -0.412932
     21          1           0       -3.210529    2.213045   -0.158939
     22          1           0       -2.448800    1.648912   -1.650360
     23          1           0        0.569847   -0.762540    1.049131
     24          1           0        1.593223    0.362635   -1.590100
     25          1           0        4.223011   -0.138714   -1.568854
     26          1           0        5.009053    0.415379   -0.066038
     27          1           0        3.937783    1.497147   -0.996563
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.1966492           0.4951118           0.4859240
 Leave Link  202 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 436 were deleted.
 There are   419 symmetry adapted cartesian basis functions of A   symmetry.
 There are   397 symmetry adapted basis functions of A   symmetry.
   397 basis functions,   709 primitive gaussians,   419 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       607.0736928418 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0186541163 Hartrees.
 Nuclear repulsion after empirical dispersion term =      607.0550387255 Hartrees.
 Leave Link  301 at Fri Aug 13 10:47:09 2021, MaxMem=  5368709120 cpu:              16.8 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   397 RedAO= T EigKep=  2.84D-06  NBF=   397
 NBsUse=   397 1.00D-06 EigRej= -1.00D+00 NBFU=   397
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   419   419   419   419   419 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Fri Aug 13 10:47:10 2021, MaxMem=  5368709120 cpu:               6.6 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 13 10:47:10 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer01_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Aug 13 10:47:11 2021, MaxMem=  5368709120 cpu:               6.2 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368350547 LenY=  5368174545
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.795530380425    
 DIIS: error= 1.89D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.795530380425     IErMin= 1 ErrMin= 1.89D-03
 ErrMax= 1.89D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.62D-03 BMatP= 5.62D-03
 IDIUse=3 WtCom= 9.81D-01 WtEn= 1.89D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.342 Goal=   None    Shift=    0.000
 GapD=    0.342 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=2.68D-02 MaxDP=3.88D+00              OVMax= 1.33D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.29D-02    CP:  1.46D+00
 E= -465.800278065903     Delta-E=       -0.004747685477 Rises=F Damp=F
 DIIS: error= 2.21D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.800278065903     IErMin= 2 ErrMin= 2.21D-04
 ErrMax= 2.21D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.04D-04 BMatP= 5.62D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.21D-03
 Coeff-Com: -0.464D-01 0.105D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.463D-01 0.105D+01
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=3.74D-03 MaxDP=5.63D-01 DE=-4.75D-03 OVMax= 4.79D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.88D-04    CP:  1.52D+00  1.13D+00
 E= -465.800379761890     Delta-E=       -0.000101695988 Rises=F Damp=F
 DIIS: error= 3.05D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -465.800379761890     IErMin= 2 ErrMin= 2.21D-04
 ErrMax= 3.05D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.33D-05 BMatP= 1.04D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.05D-03
 Coeff-Com: -0.394D-01 0.532D+00 0.508D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.392D-01 0.530D+00 0.509D+00
 Gap=     0.341 Goal=   None    Shift=    0.000
 RMSDP=1.80D-04 MaxDP=2.10D-02 DE=-1.02D-04 OVMax= 2.46D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.23D-05    CP:  1.53D+00  1.14D+00  1.06D+00
 E= -465.800447802242     Delta-E=       -0.000068040351 Rises=F Damp=F
 DIIS: error= 7.36D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.800447802242     IErMin= 4 ErrMin= 7.36D-05
 ErrMax= 7.36D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.90D-06 BMatP= 9.33D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.387D-02-0.104D-01 0.181D+00 0.833D+00
 Coeff:     -0.387D-02-0.104D-01 0.181D+00 0.833D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=1.03D-04 MaxDP=1.13D-02 DE=-6.80D-05 OVMax= 7.02D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.26D-05    CP:  1.53D+00  1.14D+00  1.11D+00  1.34D+00
 E= -465.800453610030     Delta-E=       -0.000005807789 Rises=F Damp=F
 DIIS: error= 3.03D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.800453610030     IErMin= 5 ErrMin= 3.03D-05
 ErrMax= 3.03D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.86D-07 BMatP= 5.90D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.208D-02-0.581D-01 0.259D-01 0.346D+00 0.684D+00
 Coeff:      0.208D-02-0.581D-01 0.259D-01 0.346D+00 0.684D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=2.14D-05 MaxDP=1.90D-03 DE=-5.81D-06 OVMax= 3.06D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.57D-05    CP:  1.53D+00  1.14D+00  1.13D+00  1.42D+00  1.07D+00
 E= -465.800454406661     Delta-E=       -0.000000796631 Rises=F Damp=F
 DIIS: error= 7.72D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.800454406661     IErMin= 6 ErrMin= 7.72D-06
 ErrMax= 7.72D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.67D-08 BMatP= 6.86D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.114D-02-0.179D-01-0.758D-02 0.320D-01 0.217D+00 0.776D+00
 Coeff:      0.114D-02-0.179D-01-0.758D-02 0.320D-01 0.217D+00 0.776D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=1.07D-05 MaxDP=1.52D-03 DE=-7.97D-07 OVMax= 1.74D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.49D-06    CP:  1.53D+00  1.14D+00  1.12D+00  1.47D+00  1.11D+00
                    CP:  1.08D+00
 E= -465.800454483255     Delta-E=       -0.000000076594 Rises=F Damp=F
 DIIS: error= 2.22D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.800454483255     IErMin= 7 ErrMin= 2.22D-06
 ErrMax= 2.22D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.97D-09 BMatP= 4.67D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.125D-03 0.788D-03-0.415D-02-0.289D-01-0.117D-01 0.274D+00
 Coeff-Com:  0.770D+00
 Coeff:      0.125D-03 0.788D-03-0.415D-02-0.289D-01-0.117D-01 0.274D+00
 Coeff:      0.770D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=3.94D-06 MaxDP=5.19D-04 DE=-7.66D-08 OVMax= 5.26D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.68D-06    CP:  1.53D+00  1.14D+00  1.12D+00  1.47D+00  1.12D+00
                    CP:  1.13D+00  1.10D+00
 E= -465.800454495880     Delta-E=       -0.000000012625 Rises=F Damp=F
 DIIS: error= 8.76D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.800454495880     IErMin= 8 ErrMin= 8.76D-07
 ErrMax= 8.76D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.60D-10 BMatP= 7.97D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.116D-03 0.256D-02 0.149D-03-0.139D-01-0.374D-01-0.289D-01
 Coeff-Com:  0.213D+00 0.865D+00
 Coeff:     -0.116D-03 0.256D-02 0.149D-03-0.139D-01-0.374D-01-0.289D-01
 Coeff:      0.213D+00 0.865D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=1.10D-06 MaxDP=1.31D-04 DE=-1.26D-08 OVMax= 3.38D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.98D-07    CP:  1.53D+00  1.14D+00  1.12D+00  1.47D+00  1.12D+00
                    CP:  1.15D+00  1.16D+00  1.13D+00
 E= -465.800454497646     Delta-E=       -0.000000001765 Rises=F Damp=F
 DIIS: error= 2.45D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.800454497646     IErMin= 9 ErrMin= 2.45D-07
 ErrMax= 2.45D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.11D-10 BMatP= 7.60D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.484D-04 0.813D-03 0.466D-03-0.231D-02-0.119D-01-0.311D-01
 Coeff-Com: -0.398D-02 0.317D+00 0.731D+00
 Coeff:     -0.484D-04 0.813D-03 0.466D-03-0.231D-02-0.119D-01-0.311D-01
 Coeff:     -0.398D-02 0.317D+00 0.731D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=3.31D-07 MaxDP=3.85D-05 DE=-1.77D-09 OVMax= 6.37D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.43D-07    CP:  1.53D+00  1.14D+00  1.12D+00  1.47D+00  1.12D+00
                    CP:  1.14D+00  1.16D+00  1.18D+00  9.95D-01
 E= -465.800454497788     Delta-E=       -0.000000000142 Rises=F Damp=F
 DIIS: error= 8.85D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.800454497788     IErMin=10 ErrMin= 8.85D-08
 ErrMax= 8.85D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.62D-12 BMatP= 1.11D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.453D-05-0.191D-03 0.144D-03 0.163D-02 0.280D-02-0.288D-02
 Coeff-Com: -0.422D-01-0.316D-01 0.173D+00 0.899D+00
 Coeff:      0.453D-05-0.191D-03 0.144D-03 0.163D-02 0.280D-02-0.288D-02
 Coeff:     -0.422D-01-0.316D-01 0.173D+00 0.899D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=2.53D-07 MaxDP=3.61D-05 DE=-1.42D-10 OVMax= 3.88D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  7.19D-08    CP:  1.53D+00  1.14D+00  1.12D+00  1.47D+00  1.12D+00
                    CP:  1.14D+00  1.15D+00  1.18D+00  1.03D+00  1.27D+00
 E= -465.800454497774     Delta-E=        0.000000000014 Rises=F Damp=F
 DIIS: error= 2.93D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -465.800454497788     IErMin=11 ErrMin= 2.93D-08
 ErrMax= 2.93D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.09D-12 BMatP= 9.62D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.579D-05-0.123D-03-0.769D-05 0.536D-03 0.172D-02 0.281D-02
 Coeff-Com: -0.112D-01-0.306D-01-0.440D-01 0.193D+00 0.887D+00
 Coeff:      0.579D-05-0.123D-03-0.769D-05 0.536D-03 0.172D-02 0.281D-02
 Coeff:     -0.112D-01-0.306D-01-0.440D-01 0.193D+00 0.887D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=5.52D-08 MaxDP=7.54D-06 DE= 1.41D-11 OVMax= 9.36D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.31D-08    CP:  1.53D+00  1.14D+00  1.12D+00  1.47D+00  1.12D+00
                    CP:  1.14D+00  1.15D+00  1.18D+00  1.03D+00  1.37D+00
                    CP:  1.19D+00
 E= -465.800454497824     Delta-E=       -0.000000000051 Rises=F Damp=F
 DIIS: error= 8.07D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -465.800454497824     IErMin=12 ErrMin= 8.07D-09
 ErrMax= 8.07D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.46D-14 BMatP= 1.09D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.112D-06 0.586D-05-0.980D-05-0.100D-03-0.835D-04 0.760D-03
 Coeff-Com:  0.180D-02 0.216D-02-0.240D-01-0.584D-01 0.911D-01 0.987D+00
 Coeff:      0.112D-06 0.586D-05-0.980D-05-0.100D-03-0.835D-04 0.760D-03
 Coeff:      0.180D-02 0.216D-02-0.240D-01-0.584D-01 0.911D-01 0.987D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=1.72D-08 MaxDP=2.53D-06 DE=-5.07D-11 OVMax= 2.80D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  7.13D-09    CP:  1.53D+00  1.14D+00  1.12D+00  1.47D+00  1.12D+00
                    CP:  1.14D+00  1.15D+00  1.18D+00  1.03D+00  1.40D+00
                    CP:  1.25D+00  1.19D+00
 E= -465.800454497771     Delta-E=        0.000000000053 Rises=F Damp=F
 DIIS: error= 2.86D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -465.800454497824     IErMin=13 ErrMin= 2.86D-09
 ErrMax= 2.86D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.31D-14 BMatP= 8.46D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.521D-06 0.139D-04-0.134D-05-0.889D-04-0.200D-03-0.886D-05
 Coeff-Com:  0.153D-02 0.419D-02-0.420D-02-0.373D-01-0.640D-01 0.326D+00
 Coeff-Com:  0.774D+00
 Coeff:     -0.521D-06 0.139D-04-0.134D-05-0.889D-04-0.200D-03-0.886D-05
 Coeff:      0.153D-02 0.419D-02-0.420D-02-0.373D-01-0.640D-01 0.326D+00
 Coeff:      0.774D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=5.59D-09 MaxDP=6.93D-07 DE= 5.32D-11 OVMax= 6.25D-08

 SCF Done:  E(RwB97XD) =  -465.800454498     A.U. after   13 cycles
            NFock= 13  Conv=0.56D-08     -V/T= 2.0063
 KE= 4.628734546468D+02 PE=-2.295632098904D+03 EE= 7.599031510340D+02
 Leave Link  502 at Fri Aug 13 10:57:38 2021, MaxMem=  5368709120 cpu:            5001.8 elap:             626.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   397
 NBasis=   397 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    397 NOA=    42 NOB=    42 NVA=   355 NVB=   355

 **** Warning!!: The largest alpha MO coefficient is  0.10048847D+03

 Leave Link  801 at Fri Aug 13 10:57:39 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8355 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.49D-13 8.33D-09 XBig12= 1.00D+00 5.17D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.49D-13 8.33D-09 XBig12= 1.79D-01 5.48D-02.
     11 vectors produced by pass  2 Test12= 2.49D-13 8.33D-09 XBig12= 3.45D-02 1.09D-01.
     11 vectors produced by pass  3 Test12= 2.49D-13 8.33D-09 XBig12= 3.76D-03 1.89D-02.
     11 vectors produced by pass  4 Test12= 2.49D-13 8.33D-09 XBig12= 3.36D-04 2.81D-03.
     11 vectors produced by pass  5 Test12= 2.49D-13 8.33D-09 XBig12= 2.79D-05 7.63D-04.
     11 vectors produced by pass  6 Test12= 2.49D-13 8.33D-09 XBig12= 9.04D-07 1.90D-04.
     11 vectors produced by pass  7 Test12= 2.49D-13 8.33D-09 XBig12= 3.25D-08 3.20D-05.
     11 vectors produced by pass  8 Test12= 2.49D-13 8.33D-09 XBig12= 9.71D-10 4.13D-06.
     11 vectors produced by pass  9 Test12= 2.49D-13 8.33D-09 XBig12= 2.46D-11 6.38D-07.
      8 vectors produced by pass 10 Test12= 2.49D-13 8.33D-09 XBig12= 4.66D-13 1.02D-07.
      2 vectors produced by pass 11 Test12= 2.49D-13 8.33D-09 XBig12= 1.03D-14 1.10D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   120 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.173660D+03
      2  0.588366D+01  0.110420D+03
      3 -0.280634D+01 -0.293126D+01  0.114610D+03
 Isotropic polarizability for W=    0.085645      132.90 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.871180D+02  0.274836D+02 -0.148406D+01
      2  -0.711916D+02 -0.255100D+00  0.314736D+01
      3  -0.159264D+02 -0.272285D+02 -0.166330D+01
      4   0.356992D+02 -0.969583D+02 -0.340074D+02
      5  -0.263739D+02 -0.335591D+02 -0.106193D+02
      6  -0.152259D+02 -0.283518D+02  0.111428D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.484916D+01 -0.744328D+01 -0.765296D+01
      2   0.330642D+02 -0.116267D+02 -0.611006D+01
      3  -0.259057D+02  0.410301D+02  0.155348D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.448283D+00 -0.314992D+02 -0.383713D+02
      2   0.248898D+02 -0.187815D+02  0.530705D+01
      3   0.821565D+01  0.257667D+02  0.183332D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.206613D+01 -0.723140D+01  0.462021D+01
      2  -0.723140D+01  0.647431D+00 -0.484579D+01
      3   0.462021D+01 -0.484579D+01 -0.365461D+01
 OR G Eigenvalues:    -6.8078    -5.6902    11.5569  Iso=     0.3137
 Eigenvectors:
   (1)   0.035408   0.568558   0.821881
   (2)   0.740910   0.536968  -0.403382
   (3)   0.670670  -0.623223   0.402237
 w=    0.085645 a.u., Optical Rotation Beta=      0.3137 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =       97.72 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   79003 ScalPx= 2.30D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.52D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.14D-14 2.78D-09 XBig12= 1.00D+00 4.48D-01.
     30 vectors produced by pass  1 Test12= 4.14D-14 2.78D-09 XBig12= 3.75D-02 4.19D-02.
     30 vectors produced by pass  2 Test12= 4.14D-14 2.78D-09 XBig12= 4.16D-03 1.97D-02.
     30 vectors produced by pass  3 Test12= 4.14D-14 2.78D-09 XBig12= 4.79D-05 1.25D-03.
     30 vectors produced by pass  4 Test12= 4.14D-14 2.78D-09 XBig12= 1.00D-06 9.04D-05.
     30 vectors produced by pass  5 Test12= 4.14D-14 2.78D-09 XBig12= 1.69D-08 1.31D-05.
     30 vectors produced by pass  6 Test12= 4.14D-14 2.78D-09 XBig12= 1.62D-10 1.26D-06.
     30 vectors produced by pass  7 Test12= 4.14D-14 2.78D-09 XBig12= 1.31D-12 1.06D-07.
     13 vectors produced by pass  8 Test12= 4.14D-14 2.78D-09 XBig12= 1.17D-14 9.92D-09.
      1 vectors produced by pass  9 Test12= 4.14D-14 2.78D-09 XBig12= 1.31D-15 3.30D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.89D-15
 Solved reduced A of dimension   254 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 4.33D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 4.33D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.37D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.173660D+03  0.588366D+01 -0.280634D+01
      2   0.588366D+01  0.110420D+03 -0.293126D+01
      3  -0.280634D+01 -0.293126D+01  0.114610D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.484916D+01 -0.744328D+01 -0.765296D+01
      2   0.330642D+02 -0.116267D+02 -0.611006D+01
      3  -0.259057D+02  0.410301D+02  0.155348D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.871180D+02  0.274836D+02 -0.148406D+01
      2  -0.711916D+02 -0.255100D+00  0.314736D+01
      3  -0.159264D+02 -0.272285D+02 -0.166330D+01
      4   0.356992D+02 -0.969583D+02 -0.340074D+02
      5  -0.263739D+02 -0.335591D+02 -0.106193D+02
      6  -0.152259D+02 -0.283518D+02  0.111428D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.364643D+01 -0.440273D+01 -0.430053D+01 -0.474062D+01 -0.166579D+01
      2  -0.440273D+01 -0.183527D+01  0.815272D+00 -0.166579D+01  0.167448D+01
      3  -0.430053D+01  0.815272D+00  0.147223D+01  0.111367D+01 -0.388847D+01
                 6             7             8             9            10 
      1   0.111367D+01 -0.313680D+01  0.115038D+01  0.143955D+01 -0.228717D+02
      2  -0.388847D+01  0.115038D+01 -0.316837D+01  0.550026D+00  0.661393D+01
      3   0.102553D+01  0.143955D+01  0.550026D+00  0.342049D+01  0.364946D+01
                11            12            13            14            15 
      1   0.661393D+01  0.364946D+01  0.110097D+02 -0.411159D+00 -0.140446D+01
      2   0.158921D+01 -0.622698D+00 -0.411159D+00  0.758290D+00  0.314539D+01
      3  -0.622698D+00 -0.172020D+01 -0.140446D+01  0.314539D+01 -0.177031D+00
                16            17            18            19            20 
      1   0.140443D+02 -0.170366D+01 -0.250390D+01  0.484250D+02  0.250653D+00
      2  -0.170366D+01  0.403327D+01  0.482815D+00  0.250653D+00  0.446521D+01
      3  -0.250390D+01  0.482815D+00 -0.492785D+01 -0.683885D+00  0.119647D+01
                21            22            23            24            25 
      1  -0.683885D+00 -0.408487D+01  0.902732D+01  0.295482D+01 -0.383711D+01
      2   0.119647D+01  0.902732D+01  0.129493D+01 -0.596162D+00  0.232194D+01
      3   0.559954D+00  0.295482D+01 -0.596162D+00 -0.287237D+01  0.955455D+00
                26            27            28            29            30 
      1   0.232194D+01  0.955455D+00 -0.664550D+02 -0.374134D+01  0.307018D+00
      2  -0.110811D+01 -0.243322D+01 -0.374134D+01 -0.369591D+01 -0.791364D+00
      3  -0.243322D+01  0.492447D+01  0.307018D+00 -0.791364D+00 -0.175580D+01
                31            32            33            34            35 
      1  -0.114685D+02 -0.641563D+01 -0.181324D+01  0.971282D+01 -0.281803D+00
      2  -0.641563D+01 -0.329727D+01 -0.369744D+00 -0.281803D+00  0.864481D+00
      3  -0.181324D+01 -0.369744D+00  0.141762D+01 -0.237768D+01  0.175530D+01
                36            37            38            39            40 
      1  -0.237768D+01  0.599111D+02  0.343662D+01  0.284497D+01  0.132280D+02
      2   0.175530D+01  0.343662D+01  0.203334D+01  0.896004D+00  0.518875D+01
      3  -0.315309D+01  0.284497D+01  0.896004D+00  0.131661D+01  0.125641D+01
                41            42            43            44            45 
      1   0.518875D+01  0.125641D+01 -0.126605D+02 -0.573594D+00  0.415747D+01
      2   0.275673D+01 -0.606941D+00 -0.573594D+00 -0.180980D+01 -0.189655D+01
      3  -0.606941D+00 -0.191026D+01  0.415747D+01 -0.189655D+01  0.231273D+01
                46            47            48            49            50 
      1  -0.192055D+02 -0.101966D+01 -0.316949D+01  0.553284D+01  0.526350D+00
      2  -0.101966D+01  0.123533D+01  0.269090D+00  0.526350D+00  0.682565D+00
      3  -0.316949D+01  0.269090D+00  0.563946D+00  0.328517D+01 -0.968409D+00
                51            52            53            54            55 
      1   0.328517D+01 -0.249544D+02  0.127216D+01 -0.891305D+01  0.547918D+01
      2  -0.968409D+00  0.127216D+01  0.548524D+00  0.100944D+01 -0.697435D+00
      3   0.160943D+01 -0.891305D+01  0.100944D+01 -0.587248D+01  0.275646D+01
                56            57            58            59            60 
      1  -0.697435D+00  0.275646D+01 -0.868946D+01  0.195220D+01 -0.304941D+01
      2   0.239361D+00 -0.527151D+00  0.195220D+01 -0.200449D+01  0.296494D+01
      3  -0.527151D+00  0.112896D+01 -0.304941D+01  0.296494D+01 -0.169610D+01
                61            62            63            64            65 
      1   0.253882D+02 -0.627897D+00  0.100917D+02  0.708811D+01 -0.552778D+01
      2  -0.627897D+00  0.123632D+01 -0.143146D+01 -0.552778D+01 -0.159370D+01
      3   0.100917D+02 -0.143146D+01  0.109631D+02 -0.196046D+01  0.102742D+01
                66            67            68            69            70 
      1  -0.196046D+01 -0.549174D+01 -0.123258D+01  0.125955D+01 -0.523724D+01
      2   0.102742D+01 -0.123258D+01 -0.277050D+00 -0.268043D+01  0.152534D+01
      3   0.127881D+01  0.125955D+01 -0.268043D+01  0.129071D+01  0.170707D+01
                71            72            73            74            75 
      1   0.152534D+01  0.170707D+01  0.493864D+00  0.100198D+01 -0.111774D+01
      2  -0.311410D+01  0.723520D-01  0.100198D+01 -0.421893D+01 -0.190345D+01
      3   0.723520D-01  0.654718D+01 -0.111774D+01 -0.190345D+01  0.296797D+01
                76            77            78            79            80 
      1   0.170718D+01 -0.460985D+01 -0.277692D+01 -0.215477D+01 -0.260177D+01
      2  -0.460985D+01 -0.286718D+01 -0.116517D+01 -0.260177D+01 -0.154596D+01
      3  -0.277692D+01 -0.116517D+01 -0.684896D+00  0.468978D+01 -0.164238D+00
                81            82            83            84            85 
      1   0.468978D+01 -0.919327D+01 -0.720056D+01 -0.116556D+01 -0.891962D+01
      2  -0.164238D+00 -0.720056D+01 -0.193100D+01  0.968749D+00 -0.400127D+01
      3   0.218880D+01 -0.116556D+01  0.968749D+00 -0.526068D+00  0.563709D+00
                86            87            88            89            90 
      1  -0.400127D+01  0.563709D+00  0.567061D+01  0.207444D+01 -0.267875D+00
      2   0.129237D+01  0.120022D+01  0.207444D+01  0.246538D+01  0.474200D+01
      3   0.120022D+01  0.331939D+01 -0.267875D+00  0.474200D+01 -0.480617D+00
                91            92            93            94            95 
      1  -0.129802D+01  0.159912D+01 -0.482341D+01  0.285584D+01 -0.196649D+00
      2   0.159912D+01  0.110621D+01 -0.110061D+01 -0.196649D+00 -0.425706D+01
      3  -0.482341D+01 -0.110061D+01 -0.103913D+01 -0.101531D+01  0.340861D+01
                96            97            98            99           100 
      1  -0.101531D+01 -0.797153D+01 -0.106815D+01 -0.320307D+01 -0.459838D+01
      2   0.340861D+01 -0.106815D+01  0.273152D+01  0.115622D+01 -0.221321D+00
      3   0.165185D+01 -0.320307D+01  0.115622D+01  0.404031D+01 -0.246256D+01
               101           102           103           104           105 
      1  -0.221321D+00 -0.246256D+01  0.738009D+00 -0.484794D+00  0.736369D+00
      2  -0.444430D+00  0.122417D+00 -0.484794D+00  0.459208D+00 -0.598499D+00
      3   0.122417D+00 -0.241227D+01  0.736369D+00 -0.598499D+00  0.704568D+00
               106           107           108           109           110 
      1  -0.431639D+01  0.232285D+00 -0.407607D+01 -0.746634D+01 -0.193083D+01
      2   0.232285D+00 -0.138437D+01 -0.125277D+00 -0.193083D+01 -0.106554D+01
      3  -0.407607D+01 -0.125277D+00 -0.510453D+01  0.250899D+01  0.769765D+00
               111           112           113           114           115 
      1   0.250899D+01 -0.166100D+01 -0.135633D+01  0.874679D+00  0.538159D+01
      2   0.769765D+00 -0.135633D+01 -0.108644D+01  0.799176D+00  0.155549D+01
      3  -0.210494D+01  0.874679D+00  0.799176D+00 -0.545484D+00 -0.350781D+01
               116           117           118           119           120 
      1   0.155549D+01 -0.350781D+01  0.380039D+00  0.431507D+00 -0.836275D+00
      2   0.160153D+01 -0.848907D+00  0.431507D+00 -0.257762D+00 -0.211787D+00
      3  -0.848907D+00  0.261470D+01 -0.836275D+00 -0.211787D+00  0.341343D+00
               121           122           123           124           125 
      1   0.159360D+01 -0.591305D+00 -0.680125D-01 -0.120685D+01 -0.294642D-01
      2  -0.591305D+00  0.566178D+00 -0.974191D+00 -0.294642D-01 -0.146403D+01
      3  -0.680125D-01 -0.974191D+00  0.144140D+01 -0.215234D+00  0.930679D+00
               126           127           128           129           130 
      1  -0.215234D+00  0.806138D+00 -0.879123D-01  0.630739D+00  0.228561D+00
      2   0.930679D+00 -0.879123D-01  0.121241D+01 -0.554433D+00  0.380201D+00
      3  -0.679594D+01  0.630739D+00 -0.554433D+00  0.623807D+00 -0.264890D+00
               131           132           133           134           135 
      1   0.380201D+00 -0.264890D+00  0.126184D+01 -0.260941D+00  0.159477D+00
      2  -0.417746D+01  0.172302D+01 -0.260941D+00  0.342868D+01 -0.274905D+01
      3   0.172302D+01 -0.188829D+01  0.159477D+00 -0.274905D+01  0.339136D+01
               136           137           138           139           140 
      1   0.132096D+01 -0.367405D+00 -0.563741D+00  0.106591D+01 -0.727176D+00
      2  -0.367405D+00  0.304872D+00 -0.273889D-01 -0.727176D+00 -0.647684D+01
      3  -0.563741D+00 -0.273889D-01  0.108197D+00 -0.457307D+00 -0.317320D+01
               141           142           143           144           145 
      1  -0.457307D+00 -0.236826D+01 -0.122670D+01 -0.687599D+00  0.465745D+00
      2  -0.317320D+01 -0.122670D+01 -0.538370D+01 -0.422988D+01 -0.340753D+00
      3  -0.253305D+01 -0.687599D+00 -0.422988D+01 -0.396840D+01  0.869911D+00
               146           147           148           149           150 
      1  -0.340753D+00  0.869911D+00 -0.673134D+00  0.600325D+00 -0.852578D-01
      2   0.640055D+00 -0.307941D+00  0.600325D+00 -0.412421D+01  0.238571D+01
      3  -0.307941D+00  0.466545D+00 -0.852578D-01  0.238571D+01 -0.346775D+01
               151           152           153           154           155 
      1   0.723721D+00 -0.256945D+00  0.102769D+00 -0.653188D+01  0.248182D+01
      2  -0.256945D+00  0.203022D+01 -0.183331D+01  0.248182D+01 -0.170115D+01
      3   0.102769D+00 -0.183331D+01  0.273404D+01  0.376310D+01 -0.145428D+01
               156           157           158           159           160 
      1   0.376310D+01  0.203781D+01 -0.146377D+01 -0.131233D+01  0.176841D+01
      2  -0.145428D+01 -0.146377D+01  0.155384D+01  0.163306D+01 -0.945668D+00
      3  -0.365694D+01 -0.131233D+01  0.163306D+01  0.153803D+01 -0.232153D+01
               161           162           163           164           165 
      1  -0.945668D+00 -0.232153D+01  0.344676D+01  0.194755D+01  0.130013D+01
      2   0.101786D+01  0.105440D+01  0.194755D+01  0.242504D+01  0.119341D+01
      3   0.105440D+01  0.257144D+01  0.130013D+01  0.119341D+01  0.207597D+01
               166           167           168           169           170 
      1   0.169011D+01  0.158485D+01  0.646914D+00  0.402810D+00  0.454404D+00
      2   0.158485D+01  0.289811D+01  0.182849D+01  0.454404D+00  0.963178D+00
      3   0.646914D+00  0.182849D+01  0.176441D+01  0.773590D+00  0.860956D+00
               171           172           173           174           175 
      1   0.773590D+00  0.236944D+01  0.223653D+01  0.402186D+00  0.178523D+01
      2   0.860956D+00  0.223653D+01  0.431264D+01 -0.168982D+00  0.171014D+01
      3   0.119777D+01  0.402186D+00 -0.168982D+00  0.888997D+00  0.329798D-01
               176           177           178           179           180 
      1   0.171014D+01  0.329798D-01  0.738092D+00 -0.381727D-01  0.244258D+00
      2   0.528966D+01  0.220328D+00 -0.381727D-01  0.115961D+01  0.765257D+00
      3   0.220328D+00  0.700114D+00  0.244258D+00  0.765257D+00 -0.233755D+00
               181           182           183           184           185 
      1  -0.748413D+01  0.451397D+01  0.116551D+01  0.194870D+01 -0.259896D+01
      2   0.451397D+01 -0.340023D+01 -0.543897D+00 -0.259896D+01  0.309693D+01
      3   0.116551D+01 -0.543897D+00 -0.145524D+01 -0.658779D+00  0.692828D+00
               186           187           188           189           190 
      1  -0.658779D+00  0.322754D+01 -0.163029D+01 -0.141275D+01 -0.123731D+01
      2   0.692828D+00 -0.163029D+01  0.206187D+01  0.859899D+00  0.753402D+00
      3   0.493849D+00 -0.141275D+01  0.859899D+00  0.557845D+00 -0.914193D+00
               191           192           193           194           195 
      1   0.753402D+00 -0.914193D+00  0.230195D+00  0.483773D-01 -0.171179D+00
      2  -0.866571D-01  0.628023D-01  0.483773D-01 -0.160608D+00 -0.565410D+00
      3   0.628023D-01 -0.101091D+01 -0.171179D+00 -0.565410D+00 -0.562510D+00
               196           197           198           199           200 
      1  -0.136922D+01  0.443653D+00 -0.190088D+01 -0.182432D+01 -0.488882D+00
      2   0.443653D+00 -0.167238D+01  0.122510D+01 -0.488882D+00  0.956485D-02
      3  -0.190088D+01  0.122510D+01 -0.813215D+01  0.869929D+00 -0.789550D-01
               201           202           203           204           205 
      1   0.869929D+00 -0.131593D+01  0.928086D+00  0.349410D+00  0.203767D+01
      2  -0.789550D-01  0.928086D+00 -0.794885D+00  0.115371D+01  0.528201D+00
      3   0.931075D-02  0.349410D+00  0.115371D+01 -0.125964D+01 -0.465566D+00
               206           207           208           209           210 
      1   0.528201D+00 -0.465566D+00  0.141139D+01  0.671655D+00 -0.116641D+01
      2   0.135600D+01 -0.126362D+01  0.671655D+00  0.661151D-01 -0.660006D-01
      3  -0.126362D+01  0.468823D+01 -0.116641D+01 -0.660006D-01 -0.242535D+00
               211           212           213           214           215 
      1   0.987687D+00 -0.258775D+00 -0.733815D+00 -0.181925D+01 -0.564543D+00
      2  -0.258775D+00  0.590211D+00 -0.912133D+00 -0.564543D+00 -0.127234D+01
      3  -0.733815D+00 -0.912133D+00  0.189524D+01  0.883263D+00  0.178535D+01
               216           217           218           219           220 
      1   0.883263D+00  0.256451D+01 -0.718656D+00 -0.534026D+00 -0.234740D+01
      2   0.178535D+01 -0.718656D+00  0.216563D+00  0.473352D+00  0.105994D+01
      3  -0.627383D+01 -0.534026D+00  0.473352D+00  0.740139D+00  0.145198D+01
               221           222           223           224           225 
      1   0.105994D+01  0.145198D+01 -0.353773D+01  0.276953D+00  0.324607D+01
      2  -0.137536D+01 -0.211867D+01  0.276953D+00 -0.221162D+01 -0.167813D+01
      3  -0.211867D+01 -0.292711D+01  0.324607D+01 -0.167813D+01 -0.658884D+01
               226           227           228           229           230 
      1   0.940657D+01  0.259707D+00  0.220531D+01 -0.642301D+00  0.108974D+01
      2   0.259707D+00  0.105824D+01  0.153466D+00  0.108974D+01  0.335690D+00
      3   0.220531D+01  0.153466D+00  0.166276D+01  0.981927D-01  0.816024D-01
               231           232           233           234           235 
      1   0.981927D-01  0.528117D+01  0.408070D+00  0.208675D+01  0.950466D+00
      2   0.816024D-01  0.408070D+00  0.663266D+00 -0.491064D-01  0.546821D+00
      3  -0.273534D+00  0.208675D+01 -0.491064D-01  0.153828D+01  0.424571D+00
               236           237           238           239           240 
      1   0.546821D+00  0.424571D+00  0.339513D+01  0.191778D+01 -0.812957D+00
      2  -0.683588D+00  0.410723D+00  0.191778D+01  0.764966D+01 -0.261966D+01
      3   0.410723D+00 -0.281505D+00 -0.812957D+00 -0.261966D+01  0.194589D+01
               241           242           243 
      1  -0.106862D+01 -0.433715D+00  0.131585D+01
      2  -0.433715D+00 -0.202695D+01  0.145295D+01
      3   0.131585D+01  0.145295D+01 -0.215924D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.585117D+01 -0.458169D+01  0.974736D+00 -0.385025D+01  0.692386D+01
      2   0.656896D+01  0.793622D+01  0.880478D+01  0.643187D+01  0.121297D+02
      3  -0.825366D+01 -0.915881D+01 -0.173532D+01 -0.447926D+01  0.134071D+01
                 6             7             8             9            10 
      1  -0.129008D+02 -0.131295D+00 -0.606935D+01  0.462565D+00 -0.212471D+01
      2  -0.413478D+01  0.154640D+01 -0.239496D+01 -0.881213D+01 -0.202022D+02
      3  -0.643156D+01 -0.279295D+00 -0.577364D+01  0.193018D+01  0.162811D+02
                11            12            13            14            15 
      1   0.250801D+01  0.960793D+00  0.428498D+01 -0.500510D+01 -0.346531D+01
      2   0.147266D+01  0.762496D+01  0.342325D+01 -0.100216D+02 -0.344932D+00
      3   0.496585D+01  0.238897D+01  0.149802D+02  0.607865D+01  0.702126D+01
                16            17            18            19            20 
      1   0.233343D+01  0.667822D+01  0.359931D+01 -0.214814D+00 -0.180018D+01
      2   0.819781D+01 -0.100541D+01  0.109821D+02  0.270630D+02  0.110501D+01
      3  -0.437778D+01  0.742946D+01 -0.225121D+00 -0.222319D+02 -0.646580D+01
                21            22            23            24            25 
      1  -0.111233D+01 -0.775755D+01 -0.282857D+01 -0.264857D+01 -0.297680D+01
      2   0.225495D+01 -0.210920D+01  0.645852D+01  0.487484D+01 -0.149899D+02
      3  -0.593585D+00  0.166621D+01 -0.712638D+01 -0.188137D+01 -0.313572D-01
                26            27            28            29            30 
      1   0.200588D+01  0.483515D+01  0.410327D+01 -0.181645D-01  0.961375D-01
      2   0.320484D+01 -0.329751D+01 -0.370197D+02 -0.405235D+01 -0.410023D+01
      3  -0.313842D+01 -0.177332D+01  0.194942D+02  0.770930D+01  0.123742D+01
                31            32            33            34            35 
      1   0.371713D+01  0.250637D+01 -0.259824D+01  0.224526D+01  0.458768D-01
      2  -0.128270D+02 -0.381168D+01 -0.121740D+01 -0.139383D+02 -0.161493D+01
      3   0.353643D+02  0.705449D+01 -0.103918D+00  0.247285D+01  0.909322D+00
                36            37            38            39            40 
      1  -0.410228D+01 -0.273435D+01 -0.114983D+01 -0.724844D+00 -0.811076D+01
      2  -0.119701D+01  0.438909D+02  0.336221D+01  0.128043D+02  0.139058D+02
      3   0.383949D-01 -0.161435D+02 -0.115005D+02 -0.159937D+01 -0.891851D+01
                41            42            43            44            45 
      1  -0.502553D+00 -0.497100D+01  0.166423D+01  0.127808D+00 -0.894213D+00
      2   0.298773D+01 -0.144017D+01 -0.133869D+02 -0.380597D+01  0.556158D+01
      3  -0.637732D+01  0.800672D+00 -0.347810D+00 -0.505605D+00  0.130891D+01
                46            47            48            49            50 
      1   0.768529D-02  0.199516D+01  0.257407D+01 -0.543728D+01  0.411520D+01
      2  -0.108611D+02 -0.243925D+01 -0.533371D+01  0.664115D+01 -0.280460D+01
      3   0.125448D+01  0.121048D+02  0.437185D+01  0.248447D+02  0.126453D+01
                51            52            53            54            55 
      1  -0.714358D+01  0.236076D+01 -0.366186D+01 -0.273200D+01  0.131210D+01
      2   0.666810D+01 -0.503337D+02  0.895520D+00 -0.278413D+02  0.198385D+01
      3   0.232650D+01  0.471916D+01  0.793433D+01 -0.195899D+01  0.675502D-01
                56            57            58            59            60 
      1  -0.369906D+00 -0.581133D+00 -0.131418D+00 -0.292653D+01 -0.159652D+01
      2  -0.150121D+01  0.798506D+01 -0.935020D+01  0.900269D+01 -0.875400D+01
      3  -0.749694D+01  0.292400D+00 -0.713111D+01  0.660729D+01 -0.812447D+01
                61            62            63            64            65 
      1  -0.146405D+01  0.877293D+01  0.674026D+00  0.839105D+01 -0.173461D+01
      2   0.303615D+02 -0.464260D+01  0.440299D+02  0.884304D+01 -0.670227D+01
      3  -0.424413D+01 -0.120407D+02  0.338589D+01 -0.101401D+02 -0.203365D+02
                66            67            68            69            70 
      1  -0.398497D+01 -0.180433D+01  0.746408D+01 -0.167986D+01 -0.691711D+01
      2  -0.238247D+01 -0.597615D+01  0.556368D+01 -0.211246D+01 -0.938540D+01
      3  -0.169262D+01 -0.102205D+02 -0.560155D+01 -0.458581D+01  0.249112D+00
                71            72            73            74            75 
      1   0.469629D+01 -0.155927D+02 -0.459042D+00 -0.159035D+01  0.348205D+01
      2   0.944695D+00 -0.154062D+02  0.458322D+01  0.822861D+01 -0.994716D+01
      3  -0.489955D+01  0.364460D+01  0.610979D+01 -0.221675D+02 -0.785104D+01
                76            77            78            79            80 
      1  -0.169199D+01 -0.472716D+00 -0.228974D+01  0.528066D+01  0.192594D+01
      2   0.108637D+02  0.279733D+01  0.626821D+00 -0.229418D+02 -0.177940D+01
      3  -0.152086D+02 -0.472650D+01 -0.245474D+01 -0.876514D+01 -0.181579D+01
                81            82            83            84            85 
      1   0.211396D+01  0.216462D+01  0.455389D+01 -0.195578D+01  0.594553D+01
      2  -0.566658D+01 -0.532767D+01 -0.690943D+01  0.198451D+01 -0.894229D+01
      3  -0.478197D+01 -0.668062D+01  0.873016D+01  0.303320D+01  0.202473D+02
                86            87            88            89            90 
      1   0.442015D+01  0.645796D+01 -0.266151D+01  0.153553D+02 -0.323069D+01
      2  -0.478164D+01 -0.499153D+01  0.418743D+00 -0.638276D+01  0.133846D+01
      3   0.805874D+01  0.307360D-01  0.318219D+01  0.922197D-01  0.984529D+01
                91            92            93            94            95 
      1   0.482444D+00 -0.230310D+01  0.105549D+01  0.587127D+01  0.289818D+01
      2  -0.198563D+02 -0.277353D+01 -0.435126D+01 -0.340547D+01  0.148334D+02
      3  -0.782281D+01 -0.107198D+02  0.246456D+01  0.117084D+02  0.204007D+02
                96            97            98            99           100 
      1  -0.811237D+01  0.473283D+01 -0.982738D+00 -0.408589D+01 -0.193920D+01
      2   0.800189D+01 -0.231154D+02  0.391475D+01  0.149384D+02  0.533365D+01
      3  -0.194466D+02  0.428909D+01 -0.108869D+02 -0.760703D+01  0.327021D+01
               101           102           103           104           105 
      1   0.118368D+01 -0.209570D+01  0.511792D+00 -0.115464D+01 -0.799403D-01
      2  -0.863828D+00  0.913233D+01 -0.214875D+01  0.185468D+01 -0.224134D+01
      3  -0.260942D+01  0.274578D+01 -0.705465D-01  0.272969D+01 -0.244154D+01
               106           107           108           109           110 
      1  -0.341068D+01  0.305091D+01 -0.426329D+01  0.274864D+01 -0.200457D+00
      2   0.946727D+01  0.144477D+00  0.165503D+02 -0.968037D+01 -0.308655D+01
      3   0.477097D+01 -0.623897D+01  0.326977D+01  0.117266D+01 -0.459799D+01
               111           112           113           114           115 
      1  -0.268800D+01  0.158320D+01  0.530629D+00 -0.161570D+01 -0.311389D+01
      2   0.104556D+02 -0.363135D+01 -0.317759D+01  0.266442D+01  0.112548D+02
      3   0.250178D+00 -0.250279D+00 -0.269984D+01  0.184964D+01  0.451211D+00
               116           117           118           119           120 
      1   0.912688D+00  0.315674D+01 -0.845624D+00 -0.412770D-01  0.200743D+00
      2   0.283971D+01 -0.114849D+02  0.292667D+01  0.465844D+00  0.626225D+00
      3   0.588432D+01  0.515972D+00  0.298540D+00 -0.994343D+00  0.458391D+00
               121           122           123           124           125 
      1  -0.129898D+01 -0.160103D+01  0.227174D+00 -0.543825D+00  0.440573D+01
      2   0.111796D+01  0.121687D+00 -0.169744D+01 -0.408503D+01 -0.804823D+00
      3   0.237165D+01  0.423948D+00 -0.483960D+00  0.706002D+00 -0.104606D+01
               126           127           128           129           130 
      1  -0.354809D+01  0.210313D+01 -0.138536D+01  0.226862D+01 -0.110988D+01
      2   0.649297D+01 -0.111164D+01  0.114806D+01 -0.635271D-01  0.158092D+01
      3   0.103411D+01 -0.236658D+01  0.907887D+00 -0.259985D+01  0.226305D+01
               131           132           133           134           135 
      1   0.458915D+01 -0.669213D+01  0.816240D+00 -0.561777D+01  0.110366D+02
      2  -0.276747D+01  0.293581D+01 -0.185595D+01  0.458897D+01 -0.555030D+01
      3  -0.825716D+01  0.385390D+01 -0.478400D+01  0.669075D+01 -0.606113D+01
               136           137           138           139           140 
      1  -0.146284D+01 -0.564490D+00  0.314259D+00 -0.528074D+00 -0.221962D+01
      2   0.175673D+01  0.624039D-01  0.450081D+00 -0.215668D-01  0.506690D+01
      3  -0.142742D+01  0.804458D-01  0.102515D+01  0.199277D+01 -0.111485D+02
               141           142           143           144           145 
      1  -0.640667D+01  0.101712D+00 -0.416490D+01 -0.773917D+01 -0.144553D+01
      2   0.441064D+01 -0.246104D+01  0.650762D+01  0.639591D+01 -0.408031D+01
      3  -0.515833D+01  0.283170D+01 -0.825905D+01 -0.720247D+01 -0.745846D+00
               146           147           148           149           150 
      1   0.237313D+01 -0.593253D+00  0.204192D+01 -0.127896D+02  0.414085D+01
      2   0.167237D+01 -0.163797D+01  0.371769D+01 -0.665987D+01  0.711532D+01
      3   0.441112D+00  0.368168D-02  0.282267D+01 -0.671312D+01  0.386625D+01
               151           152           153           154           155 
      1  -0.626902D+00  0.694178D+01 -0.455518D+01  0.204008D+01 -0.338459D+01
      2  -0.333979D+01  0.442204D+01 -0.554358D+01  0.469185D+01 -0.135511D+01
      3  -0.666324D+00  0.312144D+01 -0.312416D+01  0.475888D+00 -0.407605D+01
               156           157           158           159           160 
      1   0.862153D+00 -0.169870D+01  0.195499D+01  0.454249D+00 -0.648712D+00
      2   0.395478D+01 -0.274399D+01 -0.119249D+01 -0.158906D+01 -0.247727D+01
      3  -0.718718D+00 -0.363223D+00  0.295309D+01  0.241410D+01  0.449562D+00
               161           162           163           164           165 
      1   0.289537D+01 -0.315994D+00  0.273100D+01  0.474963D+01 -0.668357D+00
      2  -0.428533D-01 -0.146649D+01 -0.125694D+02 -0.705536D+01 -0.517328D+01
      3   0.217023D+01  0.470101D+00  0.874956D+01  0.478218D+01  0.332747D+01
               166           167           168           169           170 
      1   0.271588D+01  0.432231D+01  0.131123D-01  0.341565D+00  0.271294D+01
      2  -0.670760D+01 -0.753777D+01 -0.386743D+01 -0.444313D+01 -0.293478D+01
      3   0.663532D+01  0.598726D+01  0.410398D+01  0.141504D+01  0.177533D+01
               171           172           173           174           175 
      1   0.609782D+00 -0.240792D+01 -0.188964D+01 -0.338726D+01 -0.136916D+01
      2  -0.378529D+01  0.116981D+01  0.189447D+01 -0.579551D-01  0.141561D+01
      3   0.263741D+01  0.149696D+02  0.147192D+02  0.752932D+00  0.111113D+02
               176           177           178           179           180 
      1  -0.360405D+01 -0.373219D+01 -0.670904D+00 -0.742143D+00  0.153803D-01
      2   0.110741D+01 -0.593855D+00 -0.105502D+01 -0.162539D+01  0.749291D+00
      3   0.174140D+02  0.632535D+00  0.165922D+01  0.265504D+01  0.259812D+01
               181           182           183           184           185 
      1  -0.512181D+01  0.284275D+01  0.492372D+01  0.314521D+01 -0.324032D+01
      2  -0.659918D+01  0.374427D+01  0.706141D+01  0.298221D+01 -0.334651D+01
      3  -0.310095D+01 -0.316246D+01  0.131792D+01  0.230323D+01  0.410564D+01
               186           187           188           189           190 
      1  -0.300815D+01  0.348171D+01 -0.128161D+01 -0.196494D+01  0.123944D+01
      2  -0.277102D+01  0.421184D+01 -0.259598D+01 -0.277177D+01  0.132547D+01
      3   0.526244D+00  0.578958D+00  0.345175D+01 -0.458225D+00  0.526657D+00
               191           192           193           194           195 
      1   0.211600D+00  0.229020D+01 -0.104384D+00  0.196377D+01  0.394493D+00
      2   0.210645D+00  0.266620D+01  0.198171D+00  0.142511D+01  0.133243D+01
      3   0.231067D+00 -0.135177D+01  0.103947D+01 -0.476951D+00 -0.139499D+01
               196           197           198           199           200 
      1   0.348316D+01  0.269954D+01  0.170138D+02 -0.568938D-01  0.473403D+00
      2   0.447704D+00 -0.240539D+01  0.188681D+02 -0.164228D+00 -0.468247D+00
      3  -0.198771D+01 -0.407407D+01  0.566478D+00  0.150699D+01 -0.133170D+00
               201           202           203           204           205 
      1  -0.170743D+00  0.526566D+01  0.295318D-01 -0.155293D+01  0.956417D+00
      2  -0.482107D+00  0.171052D+01  0.173041D+01 -0.265654D-01 -0.407727D+01
      3  -0.552812D+00  0.103358D+01  0.457804D+00 -0.877668D+00 -0.252603D+01
               206           207           208           209           210 
      1   0.260347D+01  0.392075D+01 -0.165414D+01  0.372565D-01  0.333974D-01
      2   0.659127D+00  0.332475D+01 -0.130057D+01  0.416571D+00 -0.746915D+00
      3  -0.146455D+01  0.347887D+00 -0.297038D+01 -0.747413D+00  0.460080D-01
               211           212           213           214           215 
      1   0.627536D+01 -0.578820D+00 -0.949285D-01  0.220030D+01  0.446201D+01
      2  -0.145550D+01 -0.195886D+01  0.300876D+01 -0.320842D+01  0.281560D+01
      3   0.951150D+01 -0.183480D+00  0.198053D+01  0.325462D+01  0.317628D+01
               216           217           218           219           220 
      1  -0.253020D+00  0.301088D+00 -0.559771D+00 -0.804154D+00 -0.227785D+01
      2  -0.103597D+02  0.140515D+00  0.134972D+01  0.381920D+01  0.429074D+01
      3  -0.350031D+01  0.156897D+01 -0.258973D+01 -0.194428D+01 -0.710135D+01
               221           222           223           224           225 
      1   0.284700D+01  0.255083D+01 -0.268948D+01  0.449330D+01  0.498251D+01
      2  -0.832385D+01 -0.121821D+02  0.910740D+01 -0.720879D+01 -0.260372D+02
      3   0.629515D+01  0.107184D+02 -0.434512D+01  0.959795D+01  0.103056D+02
               226           227           228           229           230 
      1  -0.153310D+01 -0.736950D-01 -0.110399D+01 -0.835880D+00 -0.335038D+00
      2   0.159956D+02  0.779160D+00  0.114863D+02  0.289746D+00  0.725819D+00
      3   0.298294D+01 -0.660995D+01  0.603686D+00 -0.273468D+01 -0.821146D+00
               231           232           233           234           235 
      1  -0.499979D+00 -0.117889D+01  0.869257D+00 -0.692231D+00  0.226587D+00
      2  -0.108097D+01  0.988264D+01 -0.229295D+00  0.893998D+01  0.109397D+01
      3  -0.453708D+00  0.457566D+00 -0.362315D+01  0.106716D+01  0.212148D+00
               236           237           238           239           240 
      1   0.718599D+00 -0.165851D+00 -0.194600D+01 -0.583857D+01 -0.459726D+00
      2   0.189084D+01  0.475556D+00  0.749767D+00 -0.942118D+01  0.740605D+01
      3   0.347691D+01 -0.221197D+01 -0.657197D+01 -0.340961D+02  0.123105D+02
               241           242           243 
      1  -0.218467D-01  0.208257D+01  0.807962D-01
      2   0.335239D+01  0.559244D+01 -0.754835D+01
      3   0.867431D+00  0.887802D+01 -0.627313D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.885845D+00  0.187765D+02  0.179482D+02  0.167305D+02  0.124442D+02
      2   0.230220D+01 -0.154102D+02 -0.129549D+02 -0.139273D+02  0.466392D+01
      3  -0.318804D+01 -0.336628D+01 -0.499330D+01 -0.280314D+01 -0.171081D+02
      4   0.201843D+02 -0.264638D+01 -0.119476D+02 -0.826377D+00 -0.101586D+02
      5   0.255432D+02 -0.176816D+02 -0.194629D+02 -0.190075D+02  0.105071D+02
      6  -0.179835D+02 -0.491758D+01  0.522368D+01 -0.304965D+01  0.163776D+01
                 6             7             8             9            10 
      1  -0.516683D+01  0.126234D+02 -0.550426D+01 -0.149310D+02 -0.201737D+02
      2  -0.315182D+01 -0.818284D+01 -0.382778D+01 -0.213758D+01  0.221667D+02
      3   0.831865D+01 -0.444056D+01  0.933204D+01  0.170686D+02 -0.199304D+01
      4   0.150586D+02 -0.119183D+02  0.129120D+02  0.779945D+00 -0.362949D+02
      5  -0.950630D+00 -0.177147D+02  0.857424D+00 -0.829520D+01 -0.128460D+02
      6  -0.120637D+02  0.481063D+01 -0.111530D+02  0.820626D+01  0.610184D+01
                11            12            13            14            15 
      1  -0.217626D+02 -0.784872D+01 -0.275918D+02 -0.247946D+02 -0.504722D+01
      2   0.142647D+02  0.381151D+01  0.175058D+02  0.782588D+01  0.725356D+01
      3   0.749797D+01  0.403720D+01  0.100860D+02  0.169687D+02 -0.220635D+01
      4  -0.288076D+00  0.471583D+01 -0.328815D+01 -0.325981D+01 -0.160171D+02
      5   0.325614D+01  0.103577D+02  0.526271D+01 -0.138378D+02  0.208654D+01
      6  -0.434084D+01 -0.102102D+01 -0.255050D+01  0.128934D+02  0.684350D-01
                16            17            18            19            20 
      1   0.753441D+00 -0.351209D+01  0.127862D+02  0.644709D+02  0.963690D+01
      2  -0.937416D+01  0.990407D+01 -0.479778D+01 -0.641804D+02 -0.119356D+02
      3   0.862072D+01 -0.639198D+01 -0.798844D+01 -0.290516D+00  0.229867D+01
      4   0.828235D+01 -0.198987D+02 -0.193847D+01  0.571648D+01 -0.167671D+02
      5   0.113893D+02 -0.518871D+00  0.210321D+02 -0.768231D+01 -0.418889D+01
      6  -0.284321D+01 -0.161883D+01 -0.101229D+02 -0.138024D+02 -0.402471D+01
                21            22            23            24            25 
      1   0.289178D+01  0.114188D+02  0.979521D+01 -0.141193D+01  0.253245D+01
      2  -0.445792D+01 -0.155686D+02 -0.115649D+02 -0.349757D+01  0.121897D+01
      3   0.156614D+01  0.414983D+01  0.176971D+01  0.490950D+01 -0.375142D+01
      4  -0.406926D+01 -0.317030D+02 -0.514451D+01  0.398102D+01 -0.851229D+01
      5   0.397943D+00 -0.865601D+01  0.277870D+00  0.621537D+01 -0.291179D+01
      6  -0.921252D+00 -0.748674D+01 -0.397681D+01  0.141081D+01 -0.121777D+01
                26            27            28            29            30 
      1  -0.202368D+01  0.741669D+01 -0.132267D+03 -0.631546D+01 -0.521603D+01
      2  -0.410289D+01  0.112088D+02  0.977912D+02  0.481062D+01  0.287419D+01
      3   0.612657D+01 -0.186254D+02  0.344762D+02  0.150483D+01  0.234184D+01
      4   0.721172D+01  0.509183D+01  0.309220D+01 -0.107562D+02 -0.182549D+01
      5   0.354978D+01 -0.745058D+01  0.626480D+01 -0.165580D+01 -0.116718D+02
      6   0.439535D+01  0.255887D+01  0.169840D+02  0.568527D+01  0.183974D+01
                31            32            33            34            35 
      1  -0.320576D+02 -0.267158D+02 -0.822759D+01  0.293486D+02 -0.405922D+01
      2   0.279069D+02  0.250185D+02  0.456523D+01 -0.170179D+02  0.443575D+01
      3   0.415076D+01  0.169733D+01  0.366236D+01 -0.123307D+02 -0.376531D+00
      4  -0.871453D+01 -0.886942D+01 -0.229339D+01 -0.130284D+01  0.191056D-01
      5  -0.551429D+00 -0.709196D+00 -0.294914D+01  0.114368D+01  0.175333D+01
      6   0.261971D+01  0.699623D+01  0.471288D+01 -0.559047D+00 -0.953949D+00
                36            37            38            39            40 
      1  -0.398208D+01  0.157920D+03  0.109777D+02  0.957961D+01  0.345675D+02
      2  -0.160413D+01 -0.112027D+03 -0.682895D+01 -0.627011D+01 -0.181553D+02
      3   0.558621D+01 -0.458933D+02 -0.414878D+01 -0.330950D+01 -0.164121D+02
      4   0.228094D+01 -0.499872D+01  0.176834D+02  0.122958D+01  0.304371D+02
      5  -0.136530D+01  0.114566D+02  0.271858D+01  0.205574D+02  0.540411D+01
      6   0.533865D+01 -0.183564D+02 -0.528040D+01 -0.329212D+01 -0.115865D+02
                41            42            43            44            45 
      1   0.265986D+01 -0.321059D+01 -0.335080D+02 -0.942006D+01  0.130165D+02
      2   0.415555D+01 -0.285194D+01  0.214474D+02  0.382547D+01 -0.206784D+01
      3  -0.681541D+01  0.606253D+01  0.120607D+02  0.559459D+01 -0.109487D+02
      4   0.706438D+01 -0.306517D+01  0.180465D+01 -0.399722D+01 -0.703851D+01
      5  -0.255287D+01 -0.462601D+01  0.275837D+02 -0.483774D+01  0.698577D+01
      6  -0.952641D+00  0.470282D+01 -0.223692D+01  0.382326D+01  0.637365D+01
                46            47            48            49            50 
      1  -0.667081D+02 -0.582242D+01  0.915774D+01  0.195686D+01 -0.326440D+01
      2   0.483926D+02 -0.167129D+01 -0.194906D+01 -0.686675D+01  0.653337D+01
      3   0.183154D+02  0.749371D+01 -0.720868D+01  0.490990D+01 -0.326897D+01
      4  -0.659805D+01 -0.169523D+02  0.563489D+01 -0.107578D-01  0.241251D+01
      5  -0.231556D+01  0.264371D+01 -0.178837D+02  0.265333D+02 -0.590575D+01
      6   0.132378D+02  0.150634D+01 -0.715042D+00 -0.247563D+01  0.506974D+01
                51            52            53            54            55 
      1   0.987032D+01 -0.432384D+02  0.564928D+01 -0.180750D+02  0.313150D+02
      2  -0.110577D+02  0.427136D+02  0.487332D+00  0.217100D+02 -0.185748D+02
      3   0.118743D+01  0.524783D+00 -0.613662D+01 -0.363496D+01 -0.127402D+02
      4  -0.753668D+01  0.276476D+02 -0.590739D+01  0.103820D+02 -0.772841D+01
      5   0.780860D+01 -0.625744D+02  0.547793D+01 -0.441425D+02  0.210459D+02
      6   0.338769D+01  0.132531D+02 -0.644031D+01  0.777551D+01 -0.241251D+01
                56            57            58            59            60 
      1  -0.340854D+01  0.112992D+02 -0.246296D+02 -0.241907D+00 -0.337107D+01
      2   0.291003D+01 -0.771361D+01  0.155511D+02  0.107147D+01  0.351161D+01
      3   0.498512D+00 -0.358556D+01  0.907849D+01 -0.829564D+00 -0.140536D+00
      4   0.128614D+02 -0.541439D+01  0.232993D+02 -0.159824D+02  0.212638D+02
      5  -0.447559D+01  0.216265D+02 -0.195023D+02  0.206296D+02 -0.123976D+02
      6   0.192576D+01 -0.140142D+01  0.110086D+02 -0.892337D+01  0.134243D+02
                61            62            63            64            65 
      1   0.706495D+02  0.295029D+01  0.331733D+01 -0.235796D+01  0.364707D+02
      2  -0.555341D+02 -0.229726D+01 -0.322803D+02 -0.197451D+02 -0.254657D+02
      3  -0.151154D+02 -0.653036D+00  0.289630D+02  0.221031D+02 -0.110050D+02
      4  -0.154277D+02  0.167143D+02 -0.155385D+02  0.359664D+02 -0.186023D+02
      5   0.692683D+02 -0.985868D+01  0.767650D+02  0.876009D+01 -0.290151D+01
      6  -0.119007D+02  0.148567D+02 -0.985468D+01 -0.791440D+01  0.679670D+01
                66            67            68            69            70 
      1   0.106145D+02  0.320902D+02  0.394975D+01  0.143172D+00  0.104197D+02
      2  -0.286602D+00 -0.204698D+02 -0.360058D+01 -0.738424D+01  0.545369D+01
      3  -0.103279D+02 -0.116205D+02 -0.349171D+00  0.724107D+01 -0.158734D+02
      4  -0.127159D+02 -0.138767D+02 -0.791988D+01  0.153098D+02 -0.184236D+02
      5  -0.460809D+01 -0.403631D+01  0.150437D+02 -0.646884D+01 -0.644442D+01
      6   0.414440D+01  0.814881D+01 -0.135513D+02  0.541611D+01  0.552439D+01
                71            72            73            74            75 
      1  -0.239657D+01 -0.376524D+01 -0.833167D+01 -0.114456D+02  0.318587D+01
      2  -0.957925D+01  0.171057D+02  0.581488D+01  0.936926D+01  0.502563D+01
      3   0.119758D+02 -0.133405D+02  0.251679D+01  0.207637D+01 -0.821150D+01
      4   0.181690D+02  0.364808D+01 -0.841752D+01  0.120905D+02  0.112694D+02
      5  -0.859919D+00 -0.335931D+02  0.108225D+02  0.108646D+02 -0.256090D+02
      6   0.563545D+01  0.187792D+02  0.305799D+01  0.825268D+01 -0.262073D+01
                76            77            78            79            80 
      1  -0.135629D+02  0.326174D+02  0.184862D+02  0.110754D+02  0.189494D+02
      2   0.110367D+02 -0.155956D+02 -0.990707D+01  0.298710D+01 -0.112558D+02
      3   0.252625D+01 -0.170217D+02 -0.857917D+01 -0.140625D+02 -0.769359D+01
      4   0.242965D+02  0.203638D+02  0.927967D+01  0.208844D+02  0.128493D+02
      5   0.183941D+02  0.708709D+01  0.266507D+01 -0.387336D+02 -0.491301D+00
      6   0.682517D+01  0.136599D+01  0.316641D+00 -0.555919D+01  0.205382D+01
                81            82            83            84            85 
      1  -0.321614D+02 -0.406563D+02  0.683089D+01  0.570755D+01  0.120583D+02
      2   0.240021D+02  0.440709D+02  0.502506D+01 -0.641050D+01  0.280952D+01
      3   0.815935D+01 -0.341463D+01 -0.118559D+02  0.702948D+00 -0.148678D+02
      4  -0.501800D+01  0.236012D+02  0.187371D+02 -0.952912D+00  0.242719D+02
      5  -0.157140D+02  0.550479D+01  0.606867D+00  0.196974D+01 -0.753649D+00
      6   0.227441D+01  0.112063D+02 -0.240666D+01  0.254674D+01 -0.116724D+01
                86            87            88            89            90 
      1   0.723641D+01 -0.107987D+01  0.197551D+02  0.381374D+01  0.235516D+02
      2  -0.839071D+00  0.172599D+01 -0.199815D+02 -0.353581D+01 -0.257634D+02
      3  -0.639734D+01 -0.646115D+00  0.226340D+00 -0.277931D+00  0.221182D+01
      4   0.182255D+00 -0.745605D+01 -0.634522D+01 -0.127581D+02 -0.121096D+02
      5  -0.302084D+01 -0.103018D+02  0.276306D+01 -0.153572D+02  0.215251D+01
      6  -0.964445D+01 -0.193759D+02 -0.187017D+01 -0.301335D+02 -0.472944D+01
                91            92            93            94            95 
      1  -0.175310D+02  0.883116D+01 -0.409952D+02  0.199858D+02  0.134066D+02
      2   0.717640D+01 -0.214736D+01  0.195053D+02 -0.159626D+02 -0.119592D+02
      3   0.103546D+02 -0.668380D+01  0.214899D+02 -0.402326D+01 -0.144738D+01
      4   0.148317D+02  0.143416D+02 -0.114061D+02 -0.245854D+01 -0.314029D+02
      5  -0.471325D+02 -0.105613D+02 -0.123893D+01 -0.131239D+02  0.252092D+02
      6  -0.682243D+01 -0.455983D+01  0.237757D+01  0.267760D+01  0.997571D+01
                96            97            98            99           100 
      1  -0.101271D+02 -0.595767D+02 -0.933361D+01 -0.182169D+02  0.347328D+02
      2   0.163949D+02  0.278710D+02  0.120342D+02  0.148027D+02 -0.229294D+02
      3  -0.626783D+01  0.317057D+02 -0.270061D+01  0.341424D+01 -0.118034D+02
      4   0.274883D+02 -0.127887D+02  0.203869D+02  0.125294D+02  0.591016D+01
      5   0.189630D+02 -0.217572D+02  0.126897D+02  0.299783D+02  0.239649D+02
      6  -0.788413D+01  0.376900D+01 -0.408570D+01 -0.614742D+01  0.172331D+01
               101           102           103           104           105 
      1   0.165513D+01  0.158173D+02 -0.536928D+01  0.697987D+00 -0.495046D+01
      2  -0.391602D+00 -0.124103D+02  0.404771D+01 -0.124221D+01  0.408131D+01
      3  -0.126353D+01 -0.340701D+01  0.132157D+01  0.544226D+00  0.869145D+00
      4   0.526674D+01  0.922445D+00  0.588089D+01 -0.312482D+01  0.498028D+01
      5  -0.955845D+00  0.229699D+02 -0.615684D+01  0.583591D+01 -0.504585D+01
      6   0.117930D+01  0.251617D+01  0.213268D+01 -0.321956D+00  0.387610D+01
               106           107           108           109           110 
      1   0.278872D+02 -0.209884D+01  0.190071D+02  0.580638D+02  0.129644D+02
      2  -0.230409D+02  0.270446D+01 -0.229717D+02 -0.292681D+02 -0.460438D+01
      3  -0.484636D+01 -0.605620D+00  0.396456D+01 -0.287958D+02 -0.836001D+01
      4   0.270151D+01  0.904513D+01  0.395743D+01  0.248906D+02  0.132290D+02
      5   0.366745D+02  0.875794D+00  0.402683D+02 -0.218395D+02 -0.637331D+01
      6   0.386966D+01  0.418380D+01  0.504955D+01 -0.629847D+01 -0.306614D+01
               111           112           113           114           115 
      1  -0.170850D+02  0.120320D+02  0.393080D+01 -0.492146D+01 -0.358122D+02
      2   0.850163D+01 -0.370349D+01  0.211238D+01  0.155336D+01  0.188505D+02
      3   0.858334D+01 -0.832847D+01 -0.604318D+01  0.336810D+01  0.169617D+02
      4  -0.892229D+01  0.151934D+02  0.101195D+02 -0.776909D+01 -0.178815D+02
      5   0.191081D+02 -0.674989D+01 -0.684674D+01  0.422760D+01  0.293955D+02
      6   0.417550D+01 -0.391579D+01 -0.249654D+01  0.374670D+01  0.763610D+01
               116           117           118           119           120 
      1  -0.869198D+01  0.189574D+02  0.967414D+00 -0.315302D+00  0.251135D+01
      2   0.282171D+01 -0.138797D+02 -0.370638D+01  0.202122D+00  0.259226D+00
      3   0.587027D+01 -0.507775D+01  0.273897D+01  0.113180D+00 -0.277058D+01
      4  -0.142266D+02  0.100480D+02 -0.134061D+01  0.258606D+01  0.539322D+00
      5   0.703094D+01 -0.213038D+02  0.947843D+00 -0.212361D+00  0.586689D+01
      6   0.447327D+01 -0.648194D+01 -0.342396D+00 -0.134195D+00 -0.101568D+00
               121           122           123           124           125 
      1   0.103479D+01 -0.538670D+01  0.449743D+01  0.358659D+00  0.205269D+01
      2   0.855187D-01  0.135009D+01  0.514470D+00 -0.240121D+00  0.228579D+01
      3  -0.112031D+01  0.403661D+01 -0.501190D+01 -0.118537D+00 -0.433847D+01
      4   0.243487D+01 -0.106476D+01  0.115092D+01  0.266004D+00  0.400406D+01
      5  -0.587014D+00  0.927969D+00 -0.295015D+01  0.551536D+01 -0.165112D+01
      6  -0.303226D+00 -0.247431D+01  0.606776D+01 -0.979971D-01  0.475351D+01
               126           127           128           129           130 
      1  -0.212662D+02  0.312243D-01  0.593673D+01 -0.382400D+01  0.370539D+01
      2  -0.118236D+02  0.569531D-01 -0.783237D+01  0.362877D+01 -0.364296D+01
      3   0.330897D+02 -0.881774D-01  0.189564D+01  0.195226D+00 -0.624274D-01
      4  -0.280224D+01 -0.160895D+01  0.103130D+01 -0.206434D+01  0.320569D+01
      5   0.110602D+02 -0.102550D+01  0.583870D-01  0.256409D+00 -0.231570D-01
      6  -0.313329D+00 -0.448793D+01  0.251065D+01 -0.299767D+01  0.823055D+00
               131           132           133           134           135 
      1  -0.186443D+02  0.747993D+01 -0.691035D+01  0.147931D+02 -0.151879D+02
      2   0.259626D+02 -0.102705D+02  0.440697D+01 -0.199460D+02  0.141542D+02
      3  -0.731834D+01  0.279054D+01  0.250338D+01  0.515293D+01  0.103373D+01
      4   0.100349D+02 -0.372413D+01 -0.492370D+01 -0.807021D+01  0.604716D+01
      5  -0.523940D+01  0.593201D+01  0.639859D+00  0.847207D+01 -0.104897D+02
      6  -0.941868D+01  0.119607D+02 -0.454252D+00  0.160326D+02 -0.154590D+02
               136           137           138           139           140 
      1   0.546534D+01  0.524593D+01  0.303479D+01  0.276294D+01 -0.268844D+02
      2  -0.420039D+01 -0.376370D+01 -0.115297D+01 -0.401139D+00  0.336100D+02
      3  -0.126495D+01 -0.148223D+01 -0.188183D+01 -0.236180D+01 -0.672563D+01
      4   0.405954D+01  0.591766D+01  0.427148D+01  0.869869D+01  0.222536D+02
      5   0.223438D+01  0.324182D+01  0.407394D+01  0.386014D+01  0.113548D+02
      6   0.370819D+01 -0.300232D+00 -0.745709D+00  0.378933D+01  0.263828D+02
               141           142           143           144           145 
      1  -0.130272D+02 -0.140241D+01 -0.231118D+02 -0.213208D+02 -0.171017D+01
      2   0.131056D+02  0.362330D+01  0.217897D+02  0.127003D+02 -0.100280D+01
      3  -0.783919D-01 -0.222088D+01  0.132210D+01  0.862050D+01  0.271297D+01
      4   0.111941D+02  0.101419D+02  0.185774D+02  0.136734D+02  0.618507D+00
      5   0.926728D+01  0.717531D+01  0.149978D+02  0.138835D+02 -0.259064D+01
      6   0.204508D+02  0.545533D+01  0.302244D+02  0.262151D+02 -0.754084D+00
               146           147           148           149           150 
      1   0.119468D+01 -0.588786D+01  0.276762D+01 -0.921813D+01  0.100035D+02
      2   0.111765D+01  0.726724D+00 -0.909680D+00 -0.106535D+01  0.716036D+01
      3  -0.231233D+01  0.516114D+01 -0.185794D+01  0.102835D+02 -0.171639D+02
      4   0.381912D+00  0.122340D+01  0.381518D+00  0.152425D+02 -0.906445D+01
      5  -0.125427D+00  0.311010D+01 -0.298239D+01 -0.725830D+01  0.113786D+02
      6   0.270090D+01 -0.160657D+01  0.153922D+01 -0.158556D+02  0.109253D+02
               151           152           153           154           155 
      1  -0.354695D+01  0.676901D+01 -0.989872D+01  0.274205D+02 -0.689792D+01
      2   0.115845D+01  0.430000D+01 -0.725523D+01 -0.198001D+02  0.370557D+01
      3   0.238850D+01 -0.110690D+02  0.171539D+02 -0.762036D+01  0.319235D+01
      4   0.101239D+01 -0.707078D+01  0.640889D+01 -0.211019D+02  0.146043D+02
      5   0.471241D+01  0.497648D+01 -0.798390D+01 -0.373388D+02  0.139482D+02
      6  -0.149957D+01  0.109343D+02 -0.850627D+01  0.120745D+02 -0.887658D+01
               156           157           158           159           160 
      1  -0.855664D+01 -0.724211D+01  0.716043D+00  0.138728D+00 -0.632411D+01
      2   0.143827D+02  0.422595D+01 -0.135286D+00 -0.246638D+01  0.107294D+02
      3  -0.582605D+01  0.301617D+01 -0.580756D+00  0.232765D+01 -0.440532D+01
      4   0.118669D+02  0.131546D+02 -0.107915D+02 -0.970821D+01  0.805329D+01
      5   0.301954D+02  0.135810D+02 -0.107370D+02 -0.112262D+02  0.211826D+02
      6  -0.986638D+01 -0.746663D+01  0.798611D+01  0.960807D+01 -0.701339D+01
               161           162           163           164           165 
      1   0.133584D+00  0.226969D+01 -0.111400D+02 -0.135615D+02 -0.133424D+02
      2  -0.172806D+01 -0.104324D+02  0.560478D+01  0.945486D+01  0.202780D+01
      3   0.159448D+01  0.816268D+01  0.553519D+01  0.410665D+01  0.113146D+02
      4  -0.607251D+01 -0.810019D+01  0.155912D+01 -0.796657D+00  0.517138D+00
      5  -0.805563D+01 -0.201899D+02  0.633583D+01  0.451230D+01  0.148891D+01
      6   0.718977D+01  0.788025D+01  0.866676D+01  0.108115D+02  0.765145D+01
               166           167           168           169           170 
      1  -0.108371D+02 -0.162678D+02 -0.888297D+01 -0.655423D+01 -0.486594D+01
      2   0.768302D+01  0.121885D+02  0.245972D+01  0.111409D+01  0.895880D+00
      3   0.315411D+01  0.407926D+01  0.642324D+01  0.544014D+01  0.397006D+01
      4   0.167184D+01 -0.263310D+01 -0.345896D+01  0.117286D+01 -0.184543D+01
      5   0.658919D+01  0.370666D+00 -0.164378D+01  0.451817D+01  0.405867D+00
      6   0.650789D+01  0.124769D+02  0.108708D+02  0.386751D+01  0.751819D+01
               171           172           173           174           175 
      1  -0.726976D+01 -0.141061D+02 -0.251019D+02 -0.104284D+01 -0.157356D+02
      2  -0.172172D+00  0.159277D+02  0.291929D+02  0.102312D+01  0.154636D+02
      3   0.744193D+01 -0.182156D+01 -0.409100D+01  0.197206D-01  0.272031D+00
      4  -0.361286D+00  0.456831D+01 -0.673128D+00  0.237719D+01  0.613549D+01
      5   0.535697D+00 -0.439979D+01 -0.162337D+01 -0.189832D+01 -0.253690D+01
      6   0.526586D+01  0.224589D+00 -0.356677D+01  0.551766D+01 -0.134395D+01
               176           177           178           179           180 
      1  -0.268258D+02 -0.752668D+00 -0.332240D+01 -0.271447D+01 -0.447604D+01
      2   0.368982D+02  0.215121D+01  0.137802D+01  0.578241D+01  0.264347D+01
      3  -0.100724D+02 -0.139854D+01  0.194438D+01 -0.306794D+01  0.183258D+01
      4  -0.772662D+01 -0.638551D+00  0.289355D+01 -0.371645D+01 -0.568426D+00
      5  -0.317955D+01 -0.213015D+01  0.628469D+00 -0.170700D+01  0.192971D+01
      6  -0.278151D+01  0.534532D+01  0.204530D+01  0.503327D+01 -0.574766D+00
               181           182           183           184           185 
      1   0.431753D+02 -0.173996D+02 -0.753196D+01 -0.148308D+02  0.480099D+01
      2  -0.768379D+01 -0.388282D+01  0.117146D+01 -0.198002D+01  0.114941D+02
      3  -0.354915D+02  0.212824D+02  0.636051D+01  0.168108D+02 -0.162951D+02
      4  -0.499595D+02  0.355024D+02  0.746098D+01  0.281225D+02 -0.254887D+02
      5  -0.345472D+01  0.105616D+01  0.100994D+02  0.144274D+01 -0.284786D+01
      6   0.352289D+01 -0.161947D+01 -0.722319D+01 -0.169913D+01  0.212651D+01
               186           187           188           189           190 
      1   0.126589D+01 -0.122796D+02  0.298454D+01  0.509921D+01  0.380071D+01
      2   0.243519D+01  0.634312D+00  0.543911D+01 -0.245718D+01 -0.221491D+01
      3  -0.370108D+01  0.116453D+02 -0.842365D+01 -0.264203D+01 -0.158581D+01
      4  -0.592740D+01  0.170975D+02 -0.152591D+02 -0.886362D+01 -0.638782D+01
      5  -0.327567D+01  0.919502D+01 -0.532433D+01 -0.432001D+01  0.660313D+01
      6   0.397419D+01 -0.693869D+01  0.452176D+01  0.325506D+01 -0.266369D+01
               191           192           193           194           195 
      1  -0.397902D+01  0.383037D+01 -0.310931D+00 -0.208204D+01  0.211050D+01
      2   0.219454D+01 -0.432960D+01 -0.293678D+00  0.132746D+00 -0.404618D+01
      3   0.178449D+01  0.499235D+00  0.604610D+00  0.194929D+01  0.193568D+01
      4   0.460551D+01 -0.247969D+01  0.228283D+01  0.126850D+01  0.273050D+01
      5  -0.112240D+01  0.101594D+02  0.150698D+01  0.281763D+01  0.287483D+01
      6   0.547704D+00 -0.370842D+01  0.164763D+00 -0.957997D+00  0.416813D+01
               196           197           198           199           200 
      1   0.433743D+01  0.462058D+01 -0.948643D+01 -0.211907D+01 -0.966869D+00
      2  -0.620474D+01 -0.488869D+01 -0.165544D+02  0.204240D+01  0.816657D+00
      3   0.186731D+01  0.268108D+00  0.260408D+02  0.766656D-01  0.150212D+00
      4  -0.613055D+01  0.849114D+01 -0.863639D+01 -0.958444D-01  0.137086D+01
      5   0.154312D+02 -0.630462D+01  0.418527D+02 -0.655634D-01 -0.460657D+00
      6  -0.717042D+01  0.983007D+01 -0.287828D+02 -0.507524D+00  0.181437D+00
               201           202           203           204           205 
      1   0.847489D+00 -0.225456D+01 -0.170188D+01  0.521113D+01  0.582615D+01
      2  -0.651610D+00 -0.213584D+01  0.103370D+01 -0.260181D+01 -0.302155D+01
      3  -0.195879D+00  0.439040D+01  0.668184D+00 -0.260932D+01 -0.280460D+01
      4  -0.691314D+00  0.772904D+00 -0.136830D+01  0.204946D+01 -0.318244D+00
      5   0.242498D+01 -0.561628D+00  0.116945D+01 -0.702037D+00  0.152033D+01
      6   0.558510D-01  0.107292D+01 -0.358365D+01  0.356047D+01  0.775634D+00
               206           207           208           209           210 
      1   0.647918D+01 -0.127318D+02  0.231981D+01  0.234690D+01 -0.561250D+01
      2  -0.455185D+01  0.122505D+01 -0.304732D+01 -0.128598D+01  0.202025D+01
      3  -0.192733D+01  0.115068D+02  0.727511D+00 -0.106092D+01  0.359224D+01
      4   0.195156D+01 -0.300108D+01  0.262745D+01  0.140379D+01 -0.159743D+01
      5  -0.185990D+01  0.416788D+01 -0.496491D+01 -0.175477D+01  0.415658D+01
      6   0.506645D+01 -0.726067D+01 -0.183090D+01  0.194338D+00  0.484111D+00
               211           212           213           214           215 
      1   0.254126D+01 -0.399977D+01  0.425063D+01 -0.218857D+01  0.477979D+01
      2  -0.446710D+01  0.581547D+00  0.179350D+01  0.330678D+01  0.136362D+00
      3   0.192584D+01  0.341823D+01 -0.604413D+01 -0.111820D+01 -0.491616D+01
      4  -0.213597D+01  0.153704D+01 -0.235656D+01 -0.352217D+01 -0.354917D+01
      5  -0.505100D+01 -0.338969D+01  0.687833D+01  0.716034D+01  0.564472D+01
      6   0.146856D+01 -0.289554D+01  0.405547D+01  0.244224D+01  0.624391D+01
               216           217           218           219           220 
      1  -0.185447D+02  0.157340D+02 -0.589362D+01 -0.634272D+01 -0.183505D+02
      2  -0.717832D+01 -0.110996D+02  0.369986D+01  0.508567D+01  0.122636D+02
      3   0.257230D+02 -0.463435D+01  0.219376D+01  0.125705D+01  0.608685D+01
      4   0.436257D+01 -0.643730D+01  0.366918D+01  0.494050D+01  0.121375D+02
      5  -0.202125D+02 -0.788460D+01  0.563177D+01  0.110600D+02  0.161805D+02
      6  -0.645978D+01  0.253018D+01 -0.379391D+00 -0.612551D+00 -0.418324D+01
               221           222           223           224           225 
      1   0.135958D+01  0.526655D+01 -0.232064D+02 -0.359355D+00  0.935817D+01
      2  -0.146267D+01 -0.983056D+01  0.179960D+02 -0.490970D+01 -0.223880D+02
      3   0.103094D+00  0.456401D+01  0.521048D+01  0.526906D+01  0.130299D+02
      4  -0.126399D+02 -0.190224D+02  0.437134D+01 -0.190568D+02 -0.161192D+02
      5  -0.177214D+02 -0.258423D+02  0.333336D+02 -0.146430D+02 -0.571452D+02
      6   0.548865D+01  0.842802D+01 -0.261990D+01  0.688849D+01  0.625158D+01
               226           227           228           229           230 
      1   0.992638D+02  0.187860D+01  0.226874D+02 -0.598742D+01  0.823867D+01
      2  -0.473371D+02  0.215874D+00 -0.961740D+01  0.391812D+01 -0.242165D+01
      3  -0.519267D+02 -0.209447D+01 -0.130700D+02  0.206930D+01 -0.581703D+01
      4   0.653473D+01  0.133072D+02  0.249138D+01  0.130656D+02  0.276885D+01
      5   0.183983D+02  0.160205D+01  0.172601D+02  0.525364D+00  0.141813D+01
      6   0.298751D+01 -0.175818D+00  0.189344D+01  0.235498D+00 -0.615658D+00
               231           232           233           234           235 
      1   0.388424D+00  0.502661D+02  0.256492D+01  0.187815D+02  0.308206D+01
      2  -0.868818D+00 -0.238464D+02 -0.113053D+01 -0.106732D+02 -0.303099D+00
      3   0.480395D+00 -0.264198D+02 -0.143440D+01 -0.810830D+01 -0.277896D+01
      4   0.179679D+01  0.500318D+01  0.728868D+01  0.226151D+00  0.269253D+01
      5  -0.264003D+01  0.218309D+02 -0.291175D+00  0.158314D+02  0.285176D+01
      6   0.220904D+01  0.253288D+01  0.168904D+01  0.241605D+01 -0.184911D+01
               236           237           238           239           240 
      1   0.796913D+01  0.430967D+00  0.211858D+02 -0.943951D+01  0.301875D+01
      2  -0.568230D+01  0.314635D-01 -0.616828D+01  0.224811D+02 -0.467983D+01
      3  -0.228683D+01 -0.462431D+00 -0.150175D+02 -0.130416D+02  0.166108D+01
      4  -0.687455D+00  0.169494D+01  0.212314D+02  0.602109D+02 -0.210514D+02
      5   0.102102D+01 -0.156383D+00 -0.900033D+01 -0.194026D+02  0.148528D+02
      6   0.135605D+01 -0.159268D+01 -0.459192D+01 -0.168811D+02  0.112474D+02
               241           242           243 
      1  -0.609201D+01  0.350586D+01  0.134564D+01
      2   0.342545D+01 -0.313438D+01 -0.152206D+01
      3   0.266656D+01 -0.371478D+00  0.176414D+00
      4  -0.383767D+01 -0.161920D+02  0.106598D+02
      5   0.127347D+02  0.109124D+02 -0.170438D+02
      6   0.188317D+01  0.945825D+01 -0.587829D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 12:43:48 2021, MaxMem=  5368709120 cpu:           50901.8 elap:            6369.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.25139 -10.38420 -10.31521 -10.31298 -10.30485
 Alpha  occ. eigenvalues --  -10.29977 -10.29765 -10.29713 -10.29187 -10.28651
 Alpha  occ. eigenvalues --  -10.28633  -1.14141  -0.97324  -0.89921  -0.85229
 Alpha  occ. eigenvalues --   -0.84292  -0.79114  -0.77598  -0.71108  -0.69035
 Alpha  occ. eigenvalues --   -0.63181  -0.61117  -0.57613  -0.56509  -0.54821
 Alpha  occ. eigenvalues --   -0.53580  -0.52884  -0.52490  -0.50556  -0.49227
 Alpha  occ. eigenvalues --   -0.47771  -0.47644  -0.46589  -0.44974  -0.44532
 Alpha  occ. eigenvalues --   -0.44006  -0.43083  -0.40055  -0.39080  -0.38180
 Alpha  occ. eigenvalues --   -0.33785  -0.33106
 Alpha virt. eigenvalues --    0.01074   0.03313   0.03950   0.04350   0.04668
 Alpha virt. eigenvalues --    0.05586   0.05844   0.06269   0.06556   0.06710
 Alpha virt. eigenvalues --    0.07706   0.08087   0.08437   0.09564   0.09665
 Alpha virt. eigenvalues --    0.09769   0.10090   0.11404   0.12076   0.12366
 Alpha virt. eigenvalues --    0.12515   0.12927   0.13513   0.14085   0.14176
 Alpha virt. eigenvalues --    0.14919   0.15042   0.15394   0.15892   0.16091
 Alpha virt. eigenvalues --    0.16397   0.16559   0.17194   0.17365   0.17692
 Alpha virt. eigenvalues --    0.17803   0.18243   0.18678   0.19235   0.19630
 Alpha virt. eigenvalues --    0.20049   0.20558   0.20774   0.21448   0.21525
 Alpha virt. eigenvalues --    0.21998   0.22113   0.22781   0.23264   0.23394
 Alpha virt. eigenvalues --    0.24138   0.24456   0.25244   0.25554   0.26412
 Alpha virt. eigenvalues --    0.27315   0.27597   0.27970   0.28403   0.29038
 Alpha virt. eigenvalues --    0.29554   0.29887   0.30579   0.30738   0.31737
 Alpha virt. eigenvalues --    0.31897   0.32203   0.32520   0.32968   0.33594
 Alpha virt. eigenvalues --    0.34406   0.34641   0.34994   0.35674   0.35912
 Alpha virt. eigenvalues --    0.37264   0.37754   0.37900   0.38261   0.38949
 Alpha virt. eigenvalues --    0.39577   0.39758   0.40525   0.41212   0.41675
 Alpha virt. eigenvalues --    0.42454   0.42938   0.43353   0.43584   0.43836
 Alpha virt. eigenvalues --    0.44454   0.44871   0.45010   0.45704   0.46117
 Alpha virt. eigenvalues --    0.46348   0.46465   0.47453   0.47735   0.48633
 Alpha virt. eigenvalues --    0.48893   0.49539   0.50099   0.51055   0.51189
 Alpha virt. eigenvalues --    0.52858   0.53072   0.53543   0.53903   0.54369
 Alpha virt. eigenvalues --    0.54657   0.55927   0.56336   0.57292   0.57687
 Alpha virt. eigenvalues --    0.57857   0.58177   0.58408   0.59473   0.60017
 Alpha virt. eigenvalues --    0.60298   0.61045   0.61204   0.61546   0.62022
 Alpha virt. eigenvalues --    0.62423   0.63034   0.63956   0.64481   0.64689
 Alpha virt. eigenvalues --    0.65069   0.65286   0.66101   0.66858   0.66948
 Alpha virt. eigenvalues --    0.67787   0.68184   0.68964   0.69339   0.69930
 Alpha virt. eigenvalues --    0.70690   0.71302   0.72027   0.72594   0.73144
 Alpha virt. eigenvalues --    0.73305   0.73634   0.74076   0.75114   0.75442
 Alpha virt. eigenvalues --    0.75998   0.76364   0.77213   0.77467   0.78070
 Alpha virt. eigenvalues --    0.78422   0.79343   0.79621   0.80153   0.80290
 Alpha virt. eigenvalues --    0.80906   0.81684   0.82166   0.83320   0.84047
 Alpha virt. eigenvalues --    0.85235   0.85480   0.86127   0.87355   0.87541
 Alpha virt. eigenvalues --    0.87948   0.88956   0.89158   0.89663   0.90341
 Alpha virt. eigenvalues --    0.92230   0.92568   0.93893   0.94946   0.95840
 Alpha virt. eigenvalues --    0.96556   0.97072   0.98653   1.00422   1.00474
 Alpha virt. eigenvalues --    1.01250   1.01940   1.03326   1.03732   1.04880
 Alpha virt. eigenvalues --    1.05764   1.07253   1.07752   1.09257   1.10251
 Alpha virt. eigenvalues --    1.11494   1.12614   1.13003   1.14389   1.15539
 Alpha virt. eigenvalues --    1.16444   1.17194   1.18133   1.19941   1.21211
 Alpha virt. eigenvalues --    1.22043   1.24190   1.24997   1.26705   1.27679
 Alpha virt. eigenvalues --    1.29531   1.30471   1.32493   1.32787   1.34715
 Alpha virt. eigenvalues --    1.35738   1.37484   1.38430   1.40186   1.40753
 Alpha virt. eigenvalues --    1.43132   1.44417   1.45846   1.46305   1.49325
 Alpha virt. eigenvalues --    1.51199   1.52157   1.54923   1.55734   1.56930
 Alpha virt. eigenvalues --    1.58063   1.58294   1.59675   1.59753   1.61827
 Alpha virt. eigenvalues --    1.63176   1.63579   1.64563   1.65580   1.66642
 Alpha virt. eigenvalues --    1.67177   1.67433   1.68328   1.70848   1.71563
 Alpha virt. eigenvalues --    1.72057   1.72612   1.73599   1.75037   1.75504
 Alpha virt. eigenvalues --    1.77487   1.78319   1.79680   1.80514   1.81932
 Alpha virt. eigenvalues --    1.82667   1.84415   1.85098   1.86167   1.87309
 Alpha virt. eigenvalues --    1.88040   1.88430   1.89766   1.91342   1.92285
 Alpha virt. eigenvalues --    1.93044   1.95484   1.96433   1.97593   1.98174
 Alpha virt. eigenvalues --    1.98689   2.02072   2.03051   2.03747   2.06546
 Alpha virt. eigenvalues --    2.07868   2.08700   2.08880   2.09629   2.10102
 Alpha virt. eigenvalues --    2.11877   2.12800   2.13586   2.14533   2.15011
 Alpha virt. eigenvalues --    2.16779   2.18027   2.19505   2.20818   2.21171
 Alpha virt. eigenvalues --    2.22970   2.23661   2.24273   2.24843   2.26955
 Alpha virt. eigenvalues --    2.28061   2.29630   2.31244   2.32630   2.33024
 Alpha virt. eigenvalues --    2.33699   2.35194   2.37348   2.37603   2.41463
 Alpha virt. eigenvalues --    2.41588   2.42198   2.44325   2.45074   2.47352
 Alpha virt. eigenvalues --    2.48872   2.50152   2.51677   2.52321   2.54423
 Alpha virt. eigenvalues --    2.56357   2.56788   2.58089   2.60752   2.60823
 Alpha virt. eigenvalues --    2.63830   2.65057   2.65639   2.67258   2.67939
 Alpha virt. eigenvalues --    2.69507   2.70990   2.71746   2.73858   2.75699
 Alpha virt. eigenvalues --    2.77209   2.80381   2.82329   2.83842   2.88455
 Alpha virt. eigenvalues --    2.90663   2.94069   2.98711   3.00711   3.05099
 Alpha virt. eigenvalues --    3.09109   3.12607   3.13201   3.22096   3.30320
 Alpha virt. eigenvalues --    3.36448   3.50166   3.51669   3.54947   3.60977
 Alpha virt. eigenvalues --    3.67339   3.78911   3.85301   4.01182   5.00217
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.710656  -0.380260   0.032844  -0.776121   0.279665  -0.021760
     2  C   -0.380260   9.231014  -3.559110   1.948701  -0.807563   0.087004
     3  C    0.032844  -3.559110  21.265917 -10.010320   2.049766  -0.690375
     4  C   -0.776121   1.948701 -10.010320  20.275047  -6.689608  -0.098195
     5  C    0.279665  -0.807563   2.049766  -6.689608  13.507390  -1.662302
     6  C   -0.021760   0.087004  -0.690375  -0.098195  -1.662302   7.795947
     7  O   -0.000861  -0.000846   0.044146  -0.048967   0.016682   0.290757
     8  C   -0.299644  -0.080494  -0.462142   0.277832  -0.197379  -0.002461
     9  C   -0.409573  -0.913863   1.180667  -0.177137   0.080296  -0.023973
    10  C    0.086128   0.895793  -2.021108   0.837243  -0.497972   0.004332
    11  C    0.002058  -0.006559   0.004384  -0.396384   0.273364   0.057862
    12  H    0.110544   0.194079  -0.271786   0.125366   0.027731   0.000281
    13  H    0.004346  -0.084116   0.353988  -0.166497   0.009942  -0.000076
    14  H    0.169978   0.562420  -2.440696   0.309262   0.203864   0.027674
    15  H    0.159146   0.108500  -0.309328  -0.222750   0.176096  -0.018584
    16  H   -0.106413  -0.053071   0.008002   0.459813  -0.114370   0.021621
    17  H   -0.079339   0.623301   0.059608  -0.119117  -0.039764  -0.014254
    18  H    0.112653  -0.116394   0.171473  -0.048528   0.023138   0.003775
    19  H    0.347434  -0.090379  -0.481094   0.193143   0.062324   0.012874
    20  H    0.017204  -0.068995   0.031613  -0.029355   0.002351  -0.003764
    21  H    0.034778  -0.131515   0.214421  -0.032789  -0.000228   0.002484
    22  H   -0.082449   0.439747  -0.384216   0.221551  -0.056258   0.002073
    23  H    0.120800  -0.256134   0.440896  -1.913602  -0.017011   0.166619
    24  H    0.009086   0.025669  -0.423808   0.890471  -1.953525   0.322777
    25  H    0.000195  -0.001646  -0.016662   0.024021  -0.088864   0.018772
    26  H    0.000908  -0.001138   0.019342  -0.058459   0.276351  -0.046517
    27  H   -0.002871   0.005741  -0.017539   0.018474  -0.090315   0.013238
               7          8          9         10         11         12
     1  C   -0.000861  -0.299644  -0.409573   0.086128   0.002058   0.110544
     2  C   -0.000846  -0.080494  -0.913863   0.895793  -0.006559   0.194079
     3  C    0.044146  -0.462142   1.180667  -2.021108   0.004384  -0.271786
     4  C   -0.048967   0.277832  -0.177137   0.837243  -0.396384   0.125366
     5  C    0.016682  -0.197379   0.080296  -0.497972   0.273364   0.027731
     6  C    0.290757  -0.002461  -0.023973   0.004332   0.057862   0.000281
     7  O    8.482346   0.000259   0.003211   0.000384  -0.073711   0.000254
     8  C    0.000259   5.804596  -0.333650   0.054945  -0.009529  -0.233390
     9  C    0.003211  -0.333650   7.036331  -0.739862  -0.001712  -0.305393
    10  C    0.000384   0.054945  -0.739862   6.944409  -0.022443  -0.006500
    11  C   -0.073711  -0.009529  -0.001712  -0.022443   5.078107   0.000423
    12  H    0.000254  -0.233390  -0.305393  -0.006500   0.000423   2.476900
    13  H   -0.000110   0.086770  -0.410949   0.072189   0.000011  -0.634812
    14  H    0.000614  -0.184039  -0.296512   0.033872   0.024178   0.044328
    15  H    0.002405   0.017659  -0.109836  -0.208245   0.000420   0.209715
    16  H   -0.000728   0.049129   0.088170  -0.312141  -0.000460  -0.212651
    17  H   -0.000729   0.004829  -0.217565  -0.078398   0.000094  -0.001733
    18  H    0.000450  -0.033690   0.173274  -0.049712   0.000391   0.042932
    19  H   -0.002674   0.005145  -0.080988   0.106218   0.003110  -0.003399
    20  H    0.000429   0.479461  -0.083615  -0.029010  -0.001987  -0.005039
    21  H   -0.000026  -0.013280   0.171072  -0.087659  -0.000273  -0.024937
    22  H   -0.000187   0.063080  -0.146280   0.219079  -0.001121  -0.019945
    23  H   -0.066618  -0.098104   0.078098  -0.164108   0.019527  -0.005412
    24  H   -0.065329   0.039319  -0.013581   0.063398  -0.297935  -0.000598
    25  H    0.017465   0.000466  -0.000309  -0.003599   0.404391   0.000116
    26  H   -0.009556   0.000149  -0.000243   0.000351   0.049096  -0.000047
    27  H    0.019856  -0.003636   0.000413  -0.001933   0.408340   0.000224
              13         14         15         16         17         18
     1  C    0.004346   0.169978   0.159146  -0.106413  -0.079339   0.112653
     2  C   -0.084116   0.562420   0.108500  -0.053071   0.623301  -0.116394
     3  C    0.353988  -2.440696  -0.309328   0.008002   0.059608   0.171473
     4  C   -0.166497   0.309262  -0.222750   0.459813  -0.119117  -0.048528
     5  C    0.009942   0.203864   0.176096  -0.114370  -0.039764   0.023138
     6  C   -0.000076   0.027674  -0.018584   0.021621  -0.014254   0.003775
     7  O   -0.000110   0.000614   0.002405  -0.000728  -0.000729   0.000450
     8  C    0.086770  -0.184039   0.017659   0.049129   0.004829  -0.033690
     9  C   -0.410949  -0.296512  -0.109836   0.088170  -0.217565   0.173274
    10  C    0.072189   0.033872  -0.208245  -0.312141  -0.078398  -0.049712
    11  C    0.000011   0.024178   0.000420  -0.000460   0.000094   0.000391
    12  H   -0.634812   0.044328   0.209715  -0.212651  -0.001733   0.042932
    13  H    2.366364   0.007874  -0.262828   0.150122  -0.015821  -0.056319
    14  H    0.007874   3.562119   0.137499  -0.191113   0.028906  -0.004551
    15  H   -0.262828   0.137499   2.507156  -0.603769  -0.005759   0.025978
    16  H    0.150122  -0.191113  -0.603769   2.299636  -0.018558  -0.006973
    17  H   -0.015821   0.028906  -0.005759  -0.018558   2.147429  -0.521282
    18  H   -0.056319  -0.004551   0.025978  -0.006973  -0.521282   1.996470
    19  H    0.017991   0.022713   0.004861   0.004772  -0.483649  -0.449744
    20  H   -0.000919  -0.019827  -0.005300   0.001587   0.020891   0.008266
    21  H    0.018946   0.042430  -0.005864   0.000983   0.010317  -0.022640
    22  H    0.013031  -0.116066   0.006536   0.018584  -0.031048   0.009105
    23  H    0.003557   0.082800  -0.103823   0.018208  -0.059882   0.005446
    24  H   -0.001131  -0.229980   0.002504   0.014138  -0.011676   0.002102
    25  H   -0.000057   0.003594   0.000104  -0.000326   0.000096   0.000091
    26  H    0.000055  -0.000818  -0.000101   0.000248  -0.000035   0.000032
    27  H   -0.000067   0.004053   0.000075  -0.000272   0.000070  -0.000225
              19         20         21         22         23         24
     1  C    0.347434   0.017204   0.034778  -0.082449   0.120800   0.009086
     2  C   -0.090379  -0.068995  -0.131515   0.439747  -0.256134   0.025669
     3  C   -0.481094   0.031613   0.214421  -0.384216   0.440896  -0.423808
     4  C    0.193143  -0.029355  -0.032789   0.221551  -1.913602   0.890471
     5  C    0.062324   0.002351  -0.000228  -0.056258  -0.017011  -1.953525
     6  C    0.012874  -0.003764   0.002484   0.002073   0.166619   0.322777
     7  O   -0.002674   0.000429  -0.000026  -0.000187  -0.066618  -0.065329
     8  C    0.005145   0.479461  -0.013280   0.063080  -0.098104   0.039319
     9  C   -0.080988  -0.083615   0.171072  -0.146280   0.078098  -0.013581
    10  C    0.106218  -0.029010  -0.087659   0.219079  -0.164108   0.063398
    11  C    0.003110  -0.001987  -0.000273  -0.001121   0.019527  -0.297935
    12  H   -0.003399  -0.005039  -0.024937  -0.019945  -0.005412  -0.000598
    13  H    0.017991  -0.000919   0.018946   0.013031   0.003557  -0.001131
    14  H    0.022713  -0.019827   0.042430  -0.116066   0.082800  -0.229980
    15  H    0.004861  -0.005300  -0.005864   0.006536  -0.103823   0.002504
    16  H    0.004772   0.001587   0.000983   0.018584   0.018208   0.014138
    17  H   -0.483649   0.020891   0.010317  -0.031048  -0.059882  -0.011676
    18  H   -0.449744   0.008266  -0.022640   0.009105   0.005446   0.002102
    19  H    1.909214  -0.050494   0.018869   0.019202   0.032665   0.008764
    20  H   -0.050494   1.480932  -0.291677  -0.361876  -0.006675   0.000238
    21  H    0.018869  -0.291677   1.641978  -0.417395  -0.001973  -0.001670
    22  H    0.019202  -0.361876  -0.417395   1.841771  -0.001774   0.019383
    23  H    0.032665  -0.006675  -0.001973  -0.001774   3.541486   0.177859
    24  H    0.008764   0.000238  -0.001670   0.019383   0.177859   3.605389
    25  H   -0.000543   0.000249  -0.000025   0.000056  -0.006061  -0.071975
    26  H    0.000656  -0.000246   0.000014   0.000076   0.004853   0.027956
    27  H    0.000405  -0.000653   0.000089  -0.000842  -0.004597  -0.079250
              25         26         27
     1  C    0.000195   0.000908  -0.002871
     2  C   -0.001646  -0.001138   0.005741
     3  C   -0.016662   0.019342  -0.017539
     4  C    0.024021  -0.058459   0.018474
     5  C   -0.088864   0.276351  -0.090315
     6  C    0.018772  -0.046517   0.013238
     7  O    0.017465  -0.009556   0.019856
     8  C    0.000466   0.000149  -0.003636
     9  C   -0.000309  -0.000243   0.000413
    10  C   -0.003599   0.000351  -0.001933
    11  C    0.404391   0.049096   0.408340
    12  H    0.000116  -0.000047   0.000224
    13  H   -0.000057   0.000055  -0.000067
    14  H    0.003594  -0.000818   0.004053
    15  H    0.000104  -0.000101   0.000075
    16  H   -0.000326   0.000248  -0.000272
    17  H    0.000096  -0.000035   0.000070
    18  H    0.000091   0.000032  -0.000225
    19  H   -0.000543   0.000656   0.000405
    20  H    0.000249  -0.000246  -0.000653
    21  H   -0.000025   0.000014   0.000089
    22  H    0.000056   0.000076  -0.000842
    23  H   -0.006061   0.004853  -0.004597
    24  H   -0.071975   0.027956  -0.079250
    25  H    1.050585  -0.185121  -0.135968
    26  H   -0.185121   1.306564  -0.186122
    27  H   -0.135968  -0.186122   1.061032
 Mulliken charges:
               1
     1  C    0.960868
     2  C   -1.569888
     3  C    1.211119
     4  C    1.206905
     5  C    1.226203
     6  C   -0.245829
     7  O   -0.608917
     8  C    1.067799
     9  C    1.453507
    10  C    0.904349
    11  C    0.486358
    12  H   -0.507250
    13  H   -0.471484
    14  H   -0.784576
    15  H   -0.502467
    16  H   -0.514169
    17  H   -0.196934
    18  H   -0.265519
    19  H   -0.127395
    20  H   -0.083790
    21  H   -0.124431
    22  H   -0.253816
    23  H   -0.987038
    24  H   -1.058593
    25  H   -0.009044
    26  H   -0.198248
    27  H   -0.007717
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.371019
     2  C   -1.569888
     3  C    0.426542
     4  C    0.219867
     5  C    0.167609
     6  C   -0.245829
     7  O   -0.608917
     8  C    0.605761
     9  C    0.474773
    10  C   -0.112287
    11  C    0.271349
 Electronic spatial extent (au):  <R**2>=           2525.4933
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.7080    Y=              0.8232    Z=             -2.5480  Tot=              3.1760
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -69.4613   YY=            -69.1933   ZZ=            -70.5695
   XY=              3.5016   XZ=             -8.8555   YZ=              0.5228
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.2801   YY=              0.5481   ZZ=             -0.8281
   XY=              3.5016   XZ=             -8.8555   YZ=              0.5228
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             12.5341  YYY=             -0.7577  ZZZ=             -5.0856  XYY=              3.7983
  XXY=             11.8232  XXZ=            -25.4704  XZZ=             -8.2678  YZZ=             -0.0689
  YYZ=              2.1876  XYZ=              2.6316
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2539.6051 YYYY=           -464.4358 ZZZZ=           -395.8934 XXXY=             23.6624
 XXXZ=            -81.7344 YYYX=              4.5537 YYYZ=             -1.2089 ZZZX=             -4.7827
 ZZZY=             -0.6590 XXYY=           -509.6028 XXZZ=           -522.8370 YYZZ=           -140.7086
 XXYZ=             13.8837 YYXZ=             -1.3698 ZZXY=              6.3501
 N-N= 6.070550387255D+02 E-N=-2.295632098788D+03  KE= 4.628734546469D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 12:43:49 2021, MaxMem=  5368709120 cpu:               4.5 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-6.91470027D-01 3.08381737D-01-9.74521973D-01
 Polarizability= 1.61954153D+02 5.39450538D+00 1.04291144D+02
                -2.77385528D+00-3.01374036D+00 1.09144327D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.4054    1.4032        2.9424    2.9418
 2     -1.4054   -1.4032        1.4681    1.4656      -31.6283  -31.6201
 3     -2.9424   -2.9418       29.5360   29.5251       -1.4683   -1.4656
 4     -1.4681   -1.4656       -0.0000    0.0000       -2.9435   -2.9418
 5      2.0923    2.0950        2.9435    2.9418        1.4034    1.4032
 6      1.4683    1.4656       -1.4034   -1.4032        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -4.2095   -4.2095        8.8255    8.8255
 2     -4.3969   -4.3969        0.0000    0.0000        8.8255    8.8255
 3     -4.3969   -4.3969       -4.2095   -4.2095        0.0000    0.0000
 4     -4.2095   -4.2095        4.3969    4.3969      -94.8602  -94.8602
 5     -8.8255   -8.8255       88.5753   88.5753       -4.3969   -4.3969
 6      6.2850    6.2850        8.8255    8.8255        4.2095    4.2095
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0684    0.0000       -6.5634   -5.6127      -11.4277  -11.7673
 2      5.9767    5.6127       -5.9239   -5.8625      126.4095  126.4803
 3     11.8762   11.7673     -118.0834 -118.1004        6.0822    5.8625
 4      6.1552    5.8625       -0.0258    0.0000       11.5576   11.7673
 5     -8.3509   -8.3799      -11.7323  -11.7673       -5.4558   -5.6127
 6     -5.8463   -5.8625        5.6282    5.6127       -0.1382    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0811    0.0000      -33.6621  -33.5587      -25.7761  -25.6209
 2     33.5962   33.5587       34.9682   34.9200       14.4946   13.5550
 3     26.0581   25.6209       41.1614   40.7679      -35.5439  -34.9200
 4    -34.7755  -34.9200       -0.0552    0.0000       25.7015   25.6209
 5    -53.5938  -54.3229      -25.6787  -25.6209      -34.0322  -33.5587
 6     34.4769   34.9200       33.7498   33.5587        0.0287    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -55.6303  -55.2653      -23.9648  -24.5564        1.6836    1.9779
 2    -86.0328  -86.3390      -54.6469  -54.7120        1.8654    1.9779
 3    -86.1294  -86.3390      -24.4419  -24.5564       -4.7615   -4.6314
 4     30.1135   30.1556       31.2138   31.0737       38.7181   38.4596
 5     -6.8036   -6.6093       36.2083   35.7699      -31.2472  -31.0737
 6    -73.3825  -74.2295        7.3937    6.6093      -31.2190  -30.1556
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.9635   -2.8729   -0.0008   -0.0004    0.0002    4.5301
 Low frequencies ---   32.1270   63.4798   78.6601
 Diagonal vibrational polarizability:
       20.2521150      75.1209858      11.1512478
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     32.1132                63.4792                78.6590
 Red. masses --      3.3272                 3.9353                 3.1815
 Frc consts  --      0.0020                 0.0093                 0.0116
 IR Inten    --      2.7823                 1.5390                 0.9613
 RamAct Fr= 1--      1.9606                 1.0807                 0.2804
  Dep-P Fr= 1--      0.7252                 0.7161                 0.4908
  Dep-U Fr= 1--      0.8407                 0.8345                 0.6584
 Alpha2 Fr= 1--      0.0008                 0.0006                 0.0014
 Beta2  Fr= 1--      0.2747                 0.1503                 0.0308
 AlphaG Fr= 1--     -0.0031                 0.0058                 0.0094
 Gamma2 Fr= 1--     -0.1431                 0.1081                 0.3753
 Delta2 Fr= 1--     -0.0464                -0.0517                 0.0896
 Raman1 Fr= 1--       7.842                  4.323                  1.122
 ROA1   Fr= 1--     -15.224                  8.722                 38.901
 CID1   Fr= 1--      -1.941                  2.018                 34.677
 Raman2 Fr= 1--       3.297                  1.804                  0.369
 ROA2   Fr= 1--      -3.063                  3.008                  8.291
 CID2   Fr= 1--      -0.929                  1.668                 22.451
 Raman3 Fr= 1--       6.593                  3.608                  0.739
 ROA3   Fr= 1--     -15.224                  8.722                 38.901
 CID3   Fr= 1--      -2.309                  2.418                 52.667
 RC180  Fr= 1--       0.681                  0.669                  0.317
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.07  -0.03     0.06  -0.12   0.02     0.23   0.04  -0.01
     2   6     0.04   0.01  -0.02     0.07  -0.02   0.00     0.04  -0.01   0.01
     3   6    -0.01  -0.09  -0.01    -0.01  -0.12  -0.01    -0.02   0.01  -0.11
     4   6    -0.01  -0.11  -0.02    -0.01  -0.15  -0.02    -0.01  -0.02  -0.14
     5   6    -0.03  -0.01   0.01    -0.04  -0.04  -0.00     0.00   0.05  -0.07
     6   6    -0.03   0.00   0.01    -0.04   0.08   0.01    -0.05   0.02   0.03
     7   8     0.01  -0.17  -0.06    -0.05   0.25   0.06    -0.16   0.05   0.05
     8   6     0.11  -0.01  -0.08     0.24   0.05   0.07    -0.08  -0.03   0.01
     9   6    -0.03   0.04   0.06    -0.04   0.09  -0.06     0.01  -0.03   0.15
    10   6    -0.08  -0.03   0.07    -0.13  -0.04  -0.02    -0.01  -0.00  -0.08
    11   6    -0.08   0.27   0.09    -0.05  -0.01  -0.05     0.04  -0.06   0.12
    12   1    -0.04   0.03   0.06     0.03   0.16  -0.09    -0.17  -0.02   0.26
    13   1    -0.02   0.12   0.09    -0.12   0.15  -0.11     0.16  -0.06   0.28
    14   1    -0.02  -0.14  -0.02    -0.01  -0.12  -0.01    -0.06   0.05  -0.10
    15   1    -0.09  -0.01   0.09    -0.21  -0.04  -0.00     0.12  -0.07  -0.15
    16   1    -0.14  -0.07   0.10    -0.17  -0.05  -0.01    -0.12   0.06  -0.13
    17   1     0.04   0.09   0.01    -0.05  -0.17  -0.03     0.29   0.05  -0.01
    18   1     0.12   0.15  -0.03     0.09  -0.06   0.02     0.28   0.05   0.09
    19   1     0.13   0.04  -0.09     0.12  -0.22   0.07     0.25   0.05  -0.14
    20   1     0.16  -0.05  -0.14     0.33  -0.07   0.11    -0.07  -0.01  -0.11
    21   1     0.15   0.07  -0.08     0.30   0.15   0.09    -0.03  -0.04   0.12
    22   1     0.07  -0.06  -0.07     0.23   0.12   0.07    -0.22  -0.07   0.04
    23   1     0.01  -0.20  -0.05     0.00  -0.17  -0.03    -0.01  -0.09  -0.16
    24   1    -0.05   0.08   0.04    -0.06  -0.03   0.00     0.06   0.11  -0.05
    25   1    -0.01   0.44  -0.02    -0.01  -0.16   0.05     0.10  -0.11   0.15
    26   1    -0.07   0.26   0.08    -0.06   0.12  -0.03    -0.02  -0.07   0.20
    27   1    -0.19   0.31   0.27    -0.08  -0.07  -0.23     0.11  -0.07   0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --    115.5158               134.1099               156.7667
 Red. masses --      1.1395                 2.3320                 2.9904
 Frc consts  --      0.0090                 0.0247                 0.0433
 IR Inten    --      0.0020                 0.1368                 1.6991
 RamAct Fr= 1--      0.6356                 0.9669                 0.6109
  Dep-P Fr= 1--      0.7250                 0.7319                 0.6023
  Dep-U Fr= 1--      0.8406                 0.8452                 0.7518
 Alpha2 Fr= 1--      0.0003                 0.0003                 0.0017
 Beta2  Fr= 1--      0.0890                 0.1362                 0.0765
 AlphaG Fr= 1--     -0.0010                -0.0002                -0.0052
 Gamma2 Fr= 1--     -0.0876                 0.4906                -0.3990
 Delta2 Fr= 1--      0.0094                 0.0407                -0.0921
 Raman1 Fr= 1--       2.542                  3.868                  2.444
 ROA1   Fr= 1--      -8.112                 48.398                -41.255
 CID1   Fr= 1--      -3.191                 12.513                -16.882
 Raman2 Fr= 1--       1.068                  1.634                  0.919
 ROA2   Fr= 1--      -2.178                 11.449                 -8.841
 CID2   Fr= 1--      -2.039                  7.004                 -9.624
 Raman3 Fr= 1--       2.137                  3.269                  1.837
 ROA3   Fr= 1--      -8.112                 48.398                -41.255
 CID3   Fr= 1--      -3.796                 14.805                -22.456
 RC180  Fr= 1--       0.681                  0.690                  0.504
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.01     0.01   0.03  -0.01    -0.04  -0.08  -0.00
     2   6    -0.00   0.01   0.00     0.00  -0.01  -0.01    -0.00  -0.01  -0.02
     3   6     0.00   0.02  -0.00     0.00  -0.02   0.01    -0.01  -0.03   0.01
     4   6     0.00   0.01  -0.00    -0.01  -0.05   0.04     0.03   0.09  -0.09
     5   6     0.02  -0.07  -0.03    -0.06   0.24   0.14    -0.01   0.17  -0.09
     6   6     0.00  -0.01  -0.01    -0.01   0.06   0.04    -0.03   0.04  -0.05
     7   8    -0.00  -0.03  -0.01     0.06  -0.07  -0.01    -0.14  -0.06  -0.07
     8   6    -0.02   0.01   0.02     0.02  -0.03  -0.05     0.07   0.03   0.03
     9   6     0.00   0.00  -0.00    -0.01  -0.01   0.01     0.01  -0.01  -0.05
    10   6     0.01   0.01   0.00    -0.01  -0.01  -0.05     0.04  -0.04   0.22
    11   6    -0.00   0.05   0.02    -0.02  -0.07  -0.06     0.08  -0.05   0.07
    12   1     0.00   0.00  -0.00    -0.05  -0.00   0.04     0.19  -0.08  -0.16
    13   1     0.00   0.00  -0.00     0.03  -0.03   0.04    -0.13   0.08  -0.15
    14   1    -0.00   0.01  -0.00     0.04   0.01   0.02    -0.12  -0.15  -0.03
    15   1     0.01   0.01   0.00    -0.01  -0.06  -0.08     0.00   0.19   0.37
    16   1     0.01   0.01   0.00    -0.04   0.03  -0.08     0.11  -0.24   0.38
    17   1     0.00  -0.00   0.00    -0.01   0.04   0.01    -0.07  -0.10  -0.03
    18   1    -0.01  -0.01   0.01     0.03   0.06  -0.02    -0.05  -0.09  -0.01
    19   1    -0.02   0.01   0.01     0.03   0.01  -0.04    -0.04  -0.09   0.05
    20   1    -0.03   0.02   0.03     0.03  -0.04  -0.09     0.10  -0.02   0.07
    21   1    -0.02  -0.01   0.02     0.03   0.00  -0.06     0.08   0.06   0.03
    22   1    -0.01   0.02   0.01     0.00  -0.07  -0.04     0.08   0.08   0.02
    23   1    -0.01   0.09   0.02     0.02  -0.33  -0.07     0.11   0.05  -0.11
    24   1     0.03  -0.13  -0.06    -0.12   0.51   0.24     0.01   0.22  -0.07
    25   1     0.35  -0.32   0.31     0.03  -0.37   0.14     0.15  -0.10   0.12
    26   1    -0.09   0.54   0.21    -0.03   0.14  -0.03     0.01  -0.08   0.18
    27   1    -0.24  -0.15  -0.46    -0.06  -0.19  -0.41     0.19  -0.06   0.00
                      7                      8                      9
                      A                      A                      A
 Frequencies --    221.1455               245.4155               262.9542
 Red. masses --      1.3354                 1.8317                 2.7569
 Frc consts  --      0.0385                 0.0650                 0.1123
 IR Inten    --      0.1455                 0.7524                 0.1632
 RamAct Fr= 1--      0.4744                 0.5819                 4.6904
  Dep-P Fr= 1--      0.5498                 0.7463                 0.1719
  Dep-U Fr= 1--      0.7095                 0.8547                 0.2934
 Alpha2 Fr= 1--      0.0018                 0.0000                 0.0686
 Beta2  Fr= 1--      0.0561                 0.0829                 0.2293
 AlphaG Fr= 1--     -0.0101                 0.0011                -0.0564
 Gamma2 Fr= 1--     -0.4748                 0.4341                -0.0245
 Delta2 Fr= 1--     -0.0340                 0.3654                -0.0886
 Raman1 Fr= 1--       1.898                  2.328                 18.762
 ROA1   Fr= 1--     -46.663                 53.368                 -5.188
 CID1   Fr= 1--     -24.590                 22.929                 -0.277
 Raman2 Fr= 1--       0.673                  0.995                  2.752
 ROA2   Fr= 1--     -11.123                  7.496                  0.120
 CID2   Fr= 1--     -16.522                  7.536                  0.044
 Raman3 Fr= 1--       1.346                  1.989                  5.504
 ROA3   Fr= 1--     -46.663                 53.368                 -5.188
 CID3   Fr= 1--     -34.658                 26.826                 -0.943
 RC180  Fr= 1--       0.419                  0.709                 -0.413
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.01  -0.03    -0.11   0.07   0.08    -0.12   0.02   0.02
     2   6     0.01   0.02  -0.03     0.02  -0.01   0.07    -0.04   0.01   0.01
     3   6     0.00  -0.03  -0.02     0.01  -0.00   0.05    -0.03  -0.05  -0.01
     4   6     0.01  -0.05  -0.02     0.03  -0.03  -0.01     0.05  -0.13  -0.10
     5   6     0.01  -0.00   0.02    -0.00   0.01  -0.06     0.07  -0.00  -0.03
     6   6     0.02   0.00   0.01    -0.01   0.01  -0.05     0.10   0.02  -0.02
     7   8     0.03   0.01   0.01    -0.07   0.01  -0.04     0.11   0.05  -0.01
     8   6    -0.10   0.02   0.03     0.09  -0.05  -0.03    -0.09  -0.00   0.01
     9   6    -0.01   0.04  -0.03     0.01  -0.01   0.06    -0.08   0.06   0.02
    10   6    -0.03   0.00   0.05     0.00  -0.00  -0.08    -0.13   0.01   0.02
    11   6     0.01   0.00  -0.00     0.05   0.00   0.03     0.18   0.01   0.06
    12   1     0.06   0.04  -0.07    -0.09   0.03   0.13    -0.09   0.08   0.03
    13   1    -0.07   0.09  -0.07     0.10  -0.07   0.12    -0.08   0.09   0.03
    14   1     0.00  -0.06  -0.03    -0.00   0.08   0.07    -0.08  -0.04  -0.01
    15   1    -0.06   0.07   0.10     0.01  -0.14  -0.17    -0.16   0.01   0.02
    16   1    -0.03  -0.07   0.10    -0.03   0.12  -0.18    -0.18  -0.01   0.03
    17   1    -0.05  -0.03  -0.03    -0.24   0.08   0.16     0.08   0.05   0.01
    18   1     0.14   0.12   0.00    -0.14   0.16  -0.06    -0.24  -0.21  -0.01
    19   1     0.16  -0.12  -0.06    -0.10   0.03   0.13    -0.29   0.21   0.08
    20   1    -0.38   0.26   0.41    -0.06   0.06   0.28    -0.03  -0.03  -0.20
    21   1    -0.39  -0.32  -0.24    -0.13  -0.16  -0.38     0.01   0.05   0.17
    22   1     0.31   0.11  -0.04     0.52  -0.07  -0.08    -0.33  -0.05   0.04
    23   1     0.01  -0.11  -0.04     0.09  -0.06  -0.03     0.09  -0.29  -0.16
    24   1     0.01   0.05   0.04    -0.04   0.04  -0.05     0.07   0.15   0.03
    25   1    -0.00  -0.00  -0.00     0.10   0.01   0.03     0.26   0.03   0.06
    26   1     0.01   0.00  -0.01     0.00  -0.03   0.09     0.11  -0.03   0.16
    27   1     0.00  -0.00  -0.00     0.09   0.01   0.03     0.24   0.03   0.07
                     10                     11                     12
                      A                      A                      A
 Frequencies --    286.5650               319.1396               344.6984
 Red. masses --      1.1104                 2.3261                 2.5115
 Frc consts  --      0.0537                 0.1396                 0.1758
 IR Inten    --      0.0607                 1.0713                 2.2778
 RamAct Fr= 1--      0.7730                 2.0867                 0.2675
  Dep-P Fr= 1--      0.1748                 0.5071                 0.3483
  Dep-U Fr= 1--      0.2976                 0.6729                 0.5166
 Alpha2 Fr= 1--      0.0112                 0.0100                 0.0024
 Beta2  Fr= 1--      0.0383                 0.2340                 0.0230
 AlphaG Fr= 1--     -0.0082                 0.0479                -0.0097
 Gamma2 Fr= 1--      0.0328                -0.0054                -0.4720
 Delta2 Fr= 1--      0.0210                -0.0343                -0.1788
 Raman1 Fr= 1--       3.092                  8.347                  1.070
 ROA1   Fr= 1--       3.826                 -1.616                -51.032
 CID1   Fr= 1--       1.237                 -0.194                -47.693
 Raman2 Fr= 1--       0.460                  2.808                  0.276
 ROA2   Fr= 1--       0.620                  0.145                 -9.897
 CID2   Fr= 1--       1.348                  0.052                -35.808
 Raman3 Fr= 1--       0.920                  5.617                  0.553
 ROA3   Fr= 1--       3.826                 -1.616                -51.032
 CID3   Fr= 1--       4.158                 -0.288                -92.314
 RC180  Fr= 1--      -0.405                  0.346                  0.033
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.00     0.03  -0.14  -0.04     0.12  -0.02   0.05
     2   6     0.03   0.01  -0.00    -0.04  -0.01  -0.04     0.00  -0.02   0.06
     3   6     0.02  -0.01   0.00    -0.06   0.01  -0.04     0.01  -0.02   0.13
     4   6     0.01  -0.03   0.00    -0.06   0.16   0.01     0.01   0.05   0.15
     5   6    -0.01  -0.00   0.00     0.01   0.03   0.02    -0.04   0.01  -0.00
     6   6    -0.03  -0.00   0.00     0.04   0.02   0.03    -0.01   0.04  -0.07
     7   8    -0.03  -0.01   0.01     0.09  -0.02   0.01    -0.05   0.00  -0.08
     8   6     0.01   0.01   0.01     0.07  -0.00  -0.07    -0.05  -0.10  -0.07
     9   6     0.03   0.01  -0.01    -0.09   0.00   0.11    -0.03   0.07  -0.11
    10   6     0.02   0.00   0.01    -0.09  -0.00   0.01    -0.08  -0.00  -0.05
    11   6    -0.04  -0.00  -0.02     0.05  -0.00   0.02     0.09   0.00   0.04
    12   1     0.04   0.02  -0.02    -0.26  -0.07   0.20     0.13   0.22  -0.17
    13   1     0.02   0.02  -0.02     0.06   0.04   0.27    -0.18   0.06  -0.26
    14   1     0.03  -0.01   0.00    -0.06  -0.05  -0.06     0.08  -0.01   0.14
    15   1     0.01   0.01   0.01    -0.04  -0.06  -0.04    -0.24  -0.11  -0.07
    16   1     0.02  -0.01   0.01    -0.17   0.04  -0.03    -0.03   0.09  -0.12
    17   1     0.54   0.10  -0.06     0.16  -0.19  -0.19     0.27  -0.02  -0.00
    18   1    -0.20  -0.50   0.06    -0.01  -0.32   0.06     0.17  -0.08   0.20
    19   1    -0.34   0.45  -0.01    -0.05  -0.08   0.02     0.12   0.02  -0.07
    20   1    -0.05   0.07   0.12     0.04  -0.00   0.13    -0.08  -0.03  -0.22
    21   1    -0.06  -0.07  -0.08    -0.03  -0.00  -0.30    -0.06  -0.09  -0.09
    22   1     0.14   0.04  -0.01     0.35   0.00  -0.11    -0.10  -0.27  -0.04
    23   1     0.01  -0.05  -0.01    -0.12   0.35   0.08     0.09   0.18   0.18
    24   1    -0.02   0.02   0.01     0.09  -0.14  -0.04    -0.14  -0.11  -0.04
    25   1    -0.07  -0.01  -0.02     0.05  -0.02   0.03     0.18   0.00   0.05
    26   1    -0.03   0.01  -0.04     0.04  -0.03   0.03     0.00  -0.07   0.16
    27   1    -0.07  -0.01  -0.02     0.09   0.00   0.00     0.20   0.02   0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    365.5603               412.3104               441.7611
 Red. masses --      2.3287                 2.6408                 2.2692
 Frc consts  --      0.1833                 0.2645                 0.2609
 IR Inten    --      0.1812                 1.8293                 0.4321
 RamAct Fr= 1--      1.6197                 2.1539                 0.3229
  Dep-P Fr= 1--      0.3637                 0.2600                 0.7427
  Dep-U Fr= 1--      0.5334                 0.4127                 0.8524
 Alpha2 Fr= 1--      0.0136                 0.0248                 0.0000
 Beta2  Fr= 1--      0.1440                 0.1482                 0.0459
 AlphaG Fr= 1--      0.0323                -0.0216                -0.0038
 Gamma2 Fr= 1--      0.1463                 0.4042                 0.2850
 Delta2 Fr= 1--      0.1475                 0.1077                 0.1761
 Raman1 Fr= 1--       6.479                  8.616                  1.292
 ROA1   Fr= 1--      18.770                 42.249                 32.992
 CID1   Fr= 1--       2.897                  4.904                 25.543
 Raman2 Fr= 1--       1.728                  1.778                  0.550
 ROA2   Fr= 1--       2.332                  8.839                  5.431
 CID2   Fr= 1--       1.350                  4.971                  9.866
 Raman3 Fr= 1--       3.456                  3.556                  1.101
 ROA3   Fr= 1--      18.770                 42.249                 32.992
 CID3   Fr= 1--       5.431                 11.881                 29.968
 RC180  Fr= 1--       0.067                 -0.175                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.16  -0.07    -0.04  -0.05  -0.13    -0.05   0.02  -0.00
     2   6    -0.06  -0.07  -0.03     0.05   0.05  -0.13     0.14  -0.02  -0.02
     3   6    -0.05  -0.07  -0.01     0.07  -0.04   0.04     0.07  -0.12  -0.03
     4   6    -0.05   0.06   0.03     0.02  -0.08   0.17     0.06   0.10  -0.01
     5   6    -0.02   0.01   0.01    -0.07  -0.03   0.05     0.06   0.06  -0.03
     6   6     0.01   0.03  -0.01    -0.03   0.03  -0.08     0.01   0.06   0.06
     7   8     0.05  -0.00  -0.03    -0.06   0.02  -0.08    -0.04  -0.06   0.03
     8   6     0.05   0.04   0.15    -0.05   0.13   0.02    -0.04  -0.04   0.05
     9   6    -0.05  -0.10  -0.06     0.04   0.00   0.09     0.04   0.10   0.02
    10   6    -0.03  -0.10  -0.04     0.03  -0.01   0.01    -0.09  -0.07  -0.03
    11   6     0.06  -0.00   0.03     0.06   0.00   0.02    -0.05  -0.00  -0.04
    12   1    -0.02  -0.09  -0.07    -0.18  -0.16   0.18     0.02   0.16   0.04
    13   1    -0.07  -0.13  -0.09     0.23   0.09   0.29     0.03   0.20   0.05
    14   1    -0.04  -0.08  -0.02     0.24  -0.13   0.03     0.05  -0.19  -0.05
    15   1    -0.06  -0.12  -0.05     0.04  -0.15  -0.08    -0.16  -0.18  -0.08
    16   1    -0.01  -0.07  -0.07    -0.03   0.09  -0.08    -0.22   0.01  -0.09
    17   1     0.15   0.30   0.15    -0.12  -0.12  -0.22    -0.18   0.04   0.09
    18   1     0.05   0.22  -0.08    -0.07  -0.08  -0.17    -0.15   0.05  -0.23
    19   1    -0.00   0.28  -0.31    -0.03  -0.11   0.02    -0.10   0.04   0.15
    20   1     0.10  -0.08   0.38    -0.07   0.15   0.05    -0.13   0.09  -0.05
    21   1     0.07   0.03   0.21    -0.02   0.02   0.20    -0.05  -0.22   0.22
    22   1     0.11   0.30   0.12    -0.17   0.30   0.02    -0.21  -0.02   0.07
    23   1    -0.07   0.18   0.07     0.04  -0.08   0.16     0.06   0.37   0.08
    24   1    -0.01  -0.10  -0.03    -0.24  -0.04   0.04     0.16  -0.18  -0.11
    25   1     0.10  -0.01   0.04     0.16   0.01   0.03    -0.23  -0.07  -0.02
    26   1     0.01  -0.06   0.09    -0.03  -0.06   0.16     0.05  -0.00  -0.19
    27   1     0.14   0.01   0.02     0.17   0.02   0.03    -0.06  -0.02  -0.10
                     16                     17                     18
                      A                      A                      A
 Frequencies --    514.1255               585.6902               594.9856
 Red. masses --      2.8326                 2.5264                 2.9181
 Frc consts  --      0.4411                 0.5106                 0.6086
 IR Inten    --     13.2130                 1.8589                 7.3963
 RamAct Fr= 1--      1.2659                 1.8223                 4.3594
  Dep-P Fr= 1--      0.2302                 0.0377                 0.7194
  Dep-U Fr= 1--      0.3742                 0.0727                 0.8368
 Alpha2 Fr= 1--      0.0159                 0.0371                 0.0023
 Beta2  Fr= 1--      0.0790                 0.0221                 0.6080
 AlphaG Fr= 1--     -0.0178                -0.1343                -0.0162
 Gamma2 Fr= 1--     -0.6189                 0.1000                -0.6860
 Delta2 Fr= 1--     -0.1948                -0.2022                 0.1638
 Raman1 Fr= 1--       5.064                  7.289                 17.437
 ROA1   Fr= 1--     -65.646                  3.130                -60.612
 CID1   Fr= 1--     -12.964                  0.429                 -3.476
 Raman2 Fr= 1--       0.947                  0.265                  7.296
 ROA2   Fr= 1--     -13.294                  4.018                -17.775
 CID2   Fr= 1--     -14.032                 15.165                 -2.436
 Raman3 Fr= 1--       1.895                  0.530                 14.592
 ROA3   Fr= 1--     -65.646                  3.130                -60.612
 CID3   Fr= 1--     -34.643                  5.906                 -4.154
 RC180  Fr= 1--      -0.252                 -0.855                  0.674
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.07     0.01   0.00   0.06    -0.01  -0.01  -0.06
     2   6    -0.13   0.00  -0.03    -0.06   0.06   0.03    -0.01  -0.08  -0.01
     3   6     0.02   0.00   0.16    -0.02  -0.02   0.03     0.04   0.08  -0.10
     4   6     0.16   0.01   0.01     0.02  -0.09  -0.04    -0.00  -0.05   0.06
     5   6     0.13   0.04  -0.06     0.02  -0.08  -0.04     0.03  -0.07   0.09
     6   6     0.09  -0.06   0.03    -0.04   0.25   0.10     0.05   0.11   0.03
     7   8    -0.12  -0.02   0.07     0.02  -0.08  -0.02    -0.13  -0.05  -0.01
     8   6    -0.01   0.06  -0.01    -0.03   0.11  -0.05     0.03  -0.15   0.06
     9   6    -0.11  -0.06  -0.01     0.01  -0.05  -0.01    -0.09   0.02   0.00
    10   6    -0.05  -0.01   0.00     0.03  -0.02  -0.01    -0.01   0.15   0.00
    11   6     0.00   0.03  -0.08    -0.01   0.02   0.01     0.11   0.06  -0.09
    12   1    -0.20  -0.13   0.03     0.03  -0.08  -0.03    -0.19   0.07   0.07
    13   1    -0.02  -0.08   0.06    -0.01  -0.10  -0.05     0.02  -0.03   0.09
    14   1     0.04  -0.03   0.15    -0.04  -0.02   0.03     0.12   0.18  -0.06
    15   1    -0.17  -0.19  -0.08     0.03  -0.08  -0.04     0.04   0.47   0.18
    16   1     0.03   0.15  -0.12     0.06   0.03  -0.05     0.03  -0.14   0.24
    17   1     0.12  -0.03  -0.14     0.04  -0.05  -0.05    -0.00   0.06   0.07
    18   1     0.12   0.00   0.14     0.06  -0.02   0.19    -0.03   0.04  -0.14
    19   1     0.09  -0.04  -0.24     0.05  -0.04   0.04    -0.03   0.05  -0.14
    20   1     0.06  -0.05   0.08     0.01   0.07  -0.06     0.06  -0.19   0.11
    21   1     0.02   0.15  -0.03    -0.02   0.18  -0.12     0.04  -0.14   0.07
    22   1     0.04   0.14  -0.03     0.02   0.06  -0.05     0.05  -0.10   0.06
    23   1     0.37  -0.09  -0.04     0.03   0.07   0.02    -0.15  -0.04   0.08
    24   1     0.15   0.17  -0.01     0.06  -0.24  -0.10    -0.05  -0.12   0.07
    25   1    -0.12   0.06  -0.12    -0.40  -0.30   0.17    -0.09  -0.07  -0.03
    26   1     0.15   0.20  -0.29     0.06  -0.28  -0.11     0.20  -0.01  -0.22
    27   1    -0.26  -0.00  -0.05     0.42  -0.01  -0.27     0.21   0.04  -0.20
                     19                     20                     21
                      A                      A                      A
 Frequencies --    630.6607               729.6673               800.7121
 Red. masses --      3.4855                 1.9784                 1.8776
 Frc consts  --      0.8168                 0.6206                 0.7092
 IR Inten    --      6.9052                 0.8473                 1.3251
 RamAct Fr= 1--     11.5878                 7.5031                17.1655
  Dep-P Fr= 1--      0.0444                 0.0173                 0.4047
  Dep-U Fr= 1--      0.0850                 0.0341                 0.5762
 Alpha2 Fr= 1--      0.2320                 0.1601                 0.1250
 Beta2  Fr= 1--      0.1641                 0.0426                 1.6484
 AlphaG Fr= 1--      0.1656                 0.0659                -0.0295
 Gamma2 Fr= 1--      0.9738                -0.3164                -0.7997
 Delta2 Fr= 1--     -0.3489                 0.4033                 0.4019
 Raman1 Fr= 1--      46.351                 30.012                 68.662
 ROA1   Fr= 1--      82.321                -17.467                -63.907
 CID1   Fr= 1--       1.776                 -0.582                 -0.931
 Raman2 Fr= 1--       1.970                  0.511                 19.781
 ROA2   Fr= 1--      26.163                -10.819                -22.407
 CID2   Fr= 1--      13.284                -21.159                 -1.133
 Raman3 Fr= 1--       3.939                  1.023                 39.562
 ROA3   Fr= 1--      82.321                -17.467                -63.907
 CID3   Fr= 1--      20.899                -17.079                 -1.615
 RC180  Fr= 1--      -0.830                 -0.932                  0.152
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.13     0.02   0.01   0.13     0.02   0.00  -0.00
     2   6     0.01   0.07   0.03    -0.00   0.01   0.00     0.12   0.01  -0.02
     3   6    -0.07  -0.06  -0.10     0.09  -0.09  -0.08    -0.10   0.01   0.13
     4   6    -0.11   0.01   0.01     0.07  -0.01   0.04    -0.07   0.02  -0.04
     5   6    -0.00  -0.00   0.14     0.02   0.06   0.02    -0.06  -0.03  -0.05
     6   6     0.11  -0.05   0.00    -0.01  -0.02  -0.03     0.00  -0.01   0.04
     7   8    -0.15  -0.02   0.04     0.01   0.01  -0.02     0.01  -0.01   0.04
     8   6    -0.02   0.13  -0.06    -0.02   0.09  -0.04     0.04   0.01  -0.01
     9   6     0.08  -0.04   0.01    -0.08  -0.07  -0.06    -0.03  -0.01  -0.09
    10   6    -0.00  -0.13  -0.01    -0.03   0.03  -0.06     0.04  -0.01  -0.03
    11   6     0.19   0.07  -0.14    -0.05  -0.03   0.03     0.06   0.03  -0.03
    12   1     0.24  -0.03  -0.09    -0.37  -0.02   0.12    -0.41   0.01   0.14
    13   1    -0.08  -0.02  -0.13     0.19  -0.27   0.12     0.32  -0.10   0.21
    14   1    -0.12  -0.09  -0.11     0.18  -0.04  -0.07    -0.21  -0.03   0.11
    15   1     0.10  -0.17  -0.06    -0.15   0.38   0.19    -0.25   0.10   0.12
    16   1    -0.12  -0.10  -0.05     0.09  -0.35   0.24     0.42  -0.09   0.04
    17   1    -0.01  -0.03   0.05     0.02   0.02   0.14    -0.02  -0.00   0.01
    18   1    -0.00  -0.03   0.14     0.02   0.01   0.14    -0.03  -0.02  -0.10
    19   1     0.01  -0.01   0.24     0.01   0.01   0.15    -0.01   0.01   0.11
    20   1    -0.04   0.15  -0.11    -0.03   0.11  -0.06    -0.13   0.22  -0.10
    21   1    -0.04   0.16  -0.13    -0.03   0.09  -0.06    -0.03  -0.25   0.12
    22   1     0.01   0.04  -0.06    -0.02   0.07  -0.04    -0.12  -0.02   0.02
    23   1    -0.32   0.02   0.03     0.06   0.16   0.10    -0.00  -0.07  -0.07
    24   1    -0.03  -0.06   0.11     0.03  -0.15  -0.05    -0.05   0.13   0.00
    25   1     0.21   0.15  -0.19     0.05   0.04  -0.01    -0.01  -0.01  -0.01
    26   1     0.27   0.23  -0.25    -0.09   0.02   0.08     0.11   0.03  -0.10
    27   1    -0.03   0.06  -0.06    -0.12  -0.02   0.09     0.07   0.02  -0.06
                     22                     23                     24
                      A                      A                      A
 Frequencies --    853.6635               880.8793               904.7358
 Red. masses --      2.1341                 1.9150                 1.9728
 Frc consts  --      0.9163                 0.8755                 0.9515
 IR Inten    --      0.7985                 0.7217                 7.4362
 RamAct Fr= 1--      1.9950                 6.3366                18.5919
  Dep-P Fr= 1--      0.6316                 0.7263                 0.4571
  Dep-U Fr= 1--      0.7742                 0.8415                 0.6274
 Alpha2 Fr= 1--      0.0043                 0.0026                 0.1107
 Beta2  Fr= 1--      0.2574                 0.8887                 1.9441
 AlphaG Fr= 1--      0.0811                -0.0128                 0.0674
 Gamma2 Fr= 1--      1.1406                -0.9451                -2.0362
 Delta2 Fr= 1--     -0.9396                 1.0861                -1.1806
 Raman1 Fr= 1--       7.980                 25.346                 74.368
 ROA1   Fr= 1--      79.431                -55.979               -233.257
 CID1   Fr= 1--       9.954                 -2.209                 -3.137
 Raman2 Fr= 1--       3.089                 10.664                 23.329
 ROA2   Fr= 1--      34.891                -31.372                -39.424
 CID2   Fr= 1--      11.294                 -2.942                 -1.690
 Raman3 Fr= 1--       6.178                 21.328                 46.658
 ROA3   Fr= 1--      79.431                -55.979               -233.257
 CID3   Fr= 1--      12.856                 -2.625                 -4.999
 RC180  Fr= 1--       0.548                  0.683                  0.255
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.00   0.05    -0.05  -0.00  -0.03    -0.01  -0.00   0.08
     2   6     0.08  -0.03  -0.03    -0.10  -0.00   0.03    -0.04  -0.00  -0.05
     3   6     0.01   0.11  -0.03    -0.00  -0.01  -0.00     0.01  -0.04  -0.01
     4   6     0.03   0.12   0.06    -0.00   0.06   0.02    -0.01   0.03  -0.06
     5   6     0.08  -0.14  -0.00     0.02  -0.06  -0.01     0.12  -0.04   0.14
     6   6     0.01   0.02  -0.03     0.00  -0.00  -0.00    -0.01   0.01  -0.04
     7   8    -0.01   0.01  -0.04    -0.00   0.00  -0.00    -0.03   0.02  -0.06
     8   6     0.02   0.03  -0.03    -0.05  -0.02   0.02     0.00  -0.04   0.00
     9   6    -0.05  -0.08   0.00     0.16   0.12  -0.01    -0.05   0.08  -0.06
    10   6    -0.09  -0.08   0.01    -0.01  -0.12  -0.07     0.09   0.01   0.06
    11   6    -0.05   0.02   0.03    -0.01   0.01   0.01    -0.06  -0.00  -0.02
    12   1     0.06  -0.10  -0.07    -0.12   0.26   0.18    -0.26  -0.13   0.02
    13   1    -0.15  -0.02  -0.07     0.35   0.12   0.17     0.13   0.24   0.17
    14   1     0.07   0.11  -0.03    -0.02   0.08   0.02    -0.14  -0.31  -0.10
    15   1     0.01  -0.03   0.01    -0.18   0.16   0.16    -0.08  -0.28  -0.08
    16   1    -0.21  -0.12   0.04    -0.00  -0.40   0.16     0.27   0.30  -0.17
    17   1    -0.05   0.03   0.13     0.07  -0.01  -0.09     0.07   0.04   0.12
    18   1    -0.06  -0.01  -0.14     0.08   0.03   0.20     0.06   0.05   0.17
    19   1    -0.04   0.05   0.18     0.05  -0.05  -0.22     0.03   0.01  -0.08
    20   1    -0.06   0.13  -0.05     0.11  -0.22   0.09     0.01  -0.05   0.03
    21   1    -0.01  -0.08   0.04     0.02   0.23  -0.11     0.01  -0.05   0.04
    22   1    -0.05   0.06  -0.02     0.10  -0.02  -0.00    -0.02   0.01   0.00
    23   1     0.04  -0.30  -0.08     0.03  -0.11  -0.04    -0.21  -0.04  -0.07
    24   1    -0.05   0.62   0.27    -0.04   0.26   0.10     0.24   0.07   0.18
    25   1    -0.17  -0.12   0.11    -0.06  -0.04   0.04     0.10  -0.01   0.01
    26   1    -0.06  -0.12   0.03    -0.00  -0.04  -0.01    -0.20  -0.11   0.19
    27   1     0.13   0.00  -0.09     0.05   0.00  -0.04     0.12   0.03   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    915.7661               950.4378               958.9494
 Red. masses --      2.4832                 2.0266                 1.6126
 Frc consts  --      1.2269                 1.0786                 0.8737
 IR Inten    --      0.7214                20.6559                17.2748
 RamAct Fr= 1--     13.5298                 9.9634                14.0617
  Dep-P Fr= 1--      0.4356                 0.6298                 0.3680
  Dep-U Fr= 1--      0.6068                 0.7729                 0.5380
 Alpha2 Fr= 1--      0.0878                 0.0218                 0.1163
 Beta2  Fr= 1--      1.3683                 1.2834                 1.2609
 AlphaG Fr= 1--      0.3903                 0.0726                 0.3271
 Gamma2 Fr= 1--      1.6484                 2.3133                 2.4131
 Delta2 Fr= 1--      0.6186                -0.9969                 0.9730
 Raman1 Fr= 1--      54.119                 39.854                 56.247
 ROA1   Fr= 1--     178.042                190.178                262.791
 CID1   Fr= 1--       3.290                  4.772                  4.672
 Raman2 Fr= 1--      16.420                 15.400                 15.131
 ROA2   Fr= 1--      34.612                 63.494                 50.130
 CID2   Fr= 1--       2.108                  4.123                  3.313
 Raman3 Fr= 1--      32.840                 30.801                 30.262
 ROA3   Fr= 1--     178.042                190.178                262.791
 CID3   Fr= 1--       5.422                  6.174                  8.684
 RC180  Fr= 1--       0.214                  0.546                  0.076
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.13    -0.01   0.06   0.00    -0.01   0.08   0.07
     2   6     0.06   0.04   0.08    -0.01   0.07  -0.01    -0.00   0.03  -0.08
     3   6    -0.08   0.08   0.07     0.04  -0.01   0.01    -0.04   0.07   0.00
     4   6     0.04  -0.05  -0.05    -0.02   0.02  -0.03     0.01  -0.03   0.01
     5   6     0.13   0.04   0.16     0.00  -0.02   0.01    -0.00   0.03   0.01
     6   6     0.02   0.03  -0.05    -0.06  -0.02   0.02     0.06   0.02  -0.02
     7   8    -0.04   0.02  -0.08     0.00  -0.01   0.03    -0.00   0.01  -0.04
     8   6     0.03   0.03   0.03     0.01  -0.07   0.01     0.02  -0.09  -0.04
     9   6     0.03  -0.05   0.01     0.14  -0.10  -0.05     0.00   0.01  -0.02
    10   6    -0.06  -0.07  -0.03    -0.13   0.11   0.05    -0.01  -0.06  -0.00
    11   6    -0.07  -0.03   0.00     0.00   0.03  -0.07    -0.00  -0.03   0.07
    12   1     0.04   0.14   0.04     0.05  -0.20  -0.01    -0.03  -0.12  -0.03
    13   1     0.02  -0.21  -0.05     0.27  -0.38  -0.04     0.01   0.19   0.05
    14   1    -0.27   0.29   0.12     0.03  -0.13  -0.03    -0.03   0.15   0.03
    15   1    -0.12   0.09   0.09    -0.33  -0.03   0.01     0.09  -0.01   0.00
    16   1     0.01  -0.21   0.08    -0.29   0.18  -0.00    -0.06  -0.09   0.02
    17   1    -0.05  -0.05  -0.22    -0.02  -0.10  -0.30     0.01  -0.11  -0.29
    18   1    -0.04  -0.05  -0.16     0.02  -0.08   0.19     0.04  -0.09   0.33
    19   1    -0.01  -0.03  -0.01     0.06  -0.08   0.18     0.08  -0.10   0.24
    20   1    -0.06   0.17  -0.13     0.04  -0.13   0.13     0.01  -0.13   0.23
    21   1    -0.04  -0.05  -0.04     0.05  -0.08   0.11     0.09  -0.26   0.27
    22   1    -0.01  -0.19   0.05     0.00   0.08  -0.00    -0.09   0.33  -0.07
    23   1    -0.11   0.07   0.00    -0.02   0.01  -0.03    -0.02  -0.04   0.01
    24   1     0.33  -0.39   0.01     0.09   0.11   0.05    -0.06  -0.22  -0.08
    25   1     0.09   0.02  -0.01     0.20   0.02  -0.04    -0.21  -0.01   0.03
    26   1    -0.19  -0.06   0.18    -0.13  -0.07   0.13     0.14   0.08  -0.13
    27   1    -0.03   0.00   0.08     0.21   0.07  -0.04    -0.24  -0.08   0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --    967.8161               970.5744              1004.6074
 Red. masses --      1.7959                 1.6004                 1.4682
 Frc consts  --      0.9911                 0.8882                 0.8730
 IR Inten    --     22.8571                 4.1254                 0.7502
 RamAct Fr= 1--     18.0834                11.0296                12.0369
  Dep-P Fr= 1--      0.2169                 0.3854                 0.3070
  Dep-U Fr= 1--      0.3564                 0.5564                 0.4697
 Alpha2 Fr= 1--      0.2347                 0.0860                 0.1209
 Beta2  Fr= 1--      1.0743                 1.0228                 0.9424
 AlphaG Fr= 1--     -0.7650                 0.2245                 0.2545
 Gamma2 Fr= 1--     -5.6188                 2.2895                 4.7113
 Delta2 Fr= 1--     -3.0464                 0.9113                 1.1763
 Raman1 Fr= 1--      72.334                 44.118                 48.147
 ROA1   Fr= 1--    -636.891                248.953                489.925
 CID1   Fr= 1--      -8.805                  5.643                 10.176
 Raman2 Fr= 1--      12.891                 12.274                 11.308
 ROA2   Fr= 1--    -110.480                 47.657                103.661
 CID2   Fr= 1--      -8.570                  3.883                  9.167
 Raman3 Fr= 1--      25.783                 24.548                 22.617
 ROA3   Fr= 1--    -636.891                248.953                489.925
 CID3   Fr= 1--     -24.702                 10.142                 21.662
 RC180  Fr= 1--      -0.287                  0.113                 -0.061
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03  -0.05    -0.02  -0.08   0.04     0.08  -0.04   0.03
     2   6    -0.01   0.05   0.05     0.01  -0.04  -0.03     0.01  -0.08  -0.03
     3   6    -0.02  -0.10  -0.03     0.01   0.08   0.00    -0.03   0.03   0.05
     4   6    -0.03   0.03   0.01    -0.01  -0.03  -0.01    -0.01  -0.01  -0.02
     5   6     0.01  -0.04   0.01    -0.02   0.02   0.00     0.01   0.01   0.02
     6   6     0.10   0.03  -0.04     0.04   0.02  -0.01     0.01   0.01  -0.01
     7   8    -0.01   0.02  -0.07    -0.00   0.01  -0.03    -0.00   0.00  -0.01
     8   6    -0.01  -0.01   0.05     0.01   0.03   0.01    -0.09   0.01  -0.08
     9   6     0.01  -0.02   0.00     0.10  -0.02  -0.07     0.05   0.00   0.02
    10   6     0.02   0.09   0.01    -0.08   0.02   0.06    -0.02   0.04   0.00
    11   6    -0.01  -0.04   0.12     0.01  -0.02   0.06    -0.01  -0.00   0.01
    12   1     0.02   0.11   0.02    -0.09  -0.35  -0.02     0.08   0.26   0.06
    13   1     0.03  -0.31  -0.08     0.29   0.10   0.14     0.02  -0.11  -0.05
    14   1    -0.10  -0.31  -0.09    -0.03   0.06  -0.01    -0.06  -0.09   0.01
    15   1    -0.14  -0.01  -0.01    -0.13  -0.10  -0.01    -0.20   0.02   0.04
    16   1     0.12   0.16  -0.05    -0.26   0.13  -0.02     0.14   0.07  -0.02
    17   1    -0.07  -0.05  -0.18     0.10   0.15   0.41    -0.11   0.05   0.26
    18   1    -0.04  -0.06  -0.08     0.05   0.16  -0.05    -0.11  -0.02  -0.37
    19   1    -0.01  -0.01   0.13    -0.03   0.08  -0.34    -0.08   0.09   0.22
    20   1     0.03  -0.03  -0.05    -0.03   0.10  -0.13     0.14  -0.33   0.25
    21   1    -0.02   0.10  -0.10    -0.04   0.03  -0.09     0.08   0.25   0.02
    22   1     0.07  -0.20   0.06     0.01  -0.15   0.03     0.07   0.42  -0.15
    23   1    -0.13   0.04   0.02    -0.08  -0.04  -0.01    -0.01  -0.05  -0.03
    24   1    -0.18   0.24   0.11    -0.08  -0.19  -0.07     0.06  -0.12  -0.02
    25   1    -0.38  -0.06   0.08    -0.16  -0.01   0.02    -0.02  -0.00   0.01
    26   1     0.22   0.10  -0.22     0.13   0.08  -0.12    -0.00  -0.00   0.00
    27   1    -0.32  -0.12   0.03    -0.19  -0.06   0.03    -0.02  -0.01   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1022.7939              1030.4061              1052.3867
 Red. masses --      1.5494                 1.4418                 1.6726
 Frc consts  --      0.9550                 0.9020                 1.0915
 IR Inten    --      6.6896                21.3076                 1.3480
 RamAct Fr= 1--      4.9132                 4.6770                 4.4054
  Dep-P Fr= 1--      0.1952                 0.7462                 0.6586
  Dep-U Fr= 1--      0.3266                 0.8546                 0.7941
 Alpha2 Fr= 1--      0.0676                 0.0003                 0.0072
 Beta2  Fr= 1--      0.2674                 0.6662                 0.5831
 AlphaG Fr= 1--     -0.4460                -0.0533                -0.2646
 Gamma2 Fr= 1--     -2.8967                -1.2712                -1.7724
 Delta2 Fr= 1--     -0.3453                -0.6957                -0.1592
 Raman1 Fr= 1--      19.653                 18.708                 17.622
 ROA1   Fr= 1--    -289.136               -144.296               -175.250
 CID1   Fr= 1--     -14.712                 -7.713                 -9.945
 Raman2 Fr= 1--       3.209                  7.994                  6.997
 ROA2   Fr= 1--     -66.759                -24.942                -41.265
 CID2   Fr= 1--     -20.803                 -3.120                 -5.897
 Raman3 Fr= 1--       6.418                 15.988                 13.994
 ROA3   Fr= 1--    -289.136               -144.296               -175.250
 CID3   Fr= 1--     -45.051                 -9.025                -12.523
 RC180  Fr= 1--      -0.347                  0.709                  0.588
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.04  -0.01     0.03   0.01   0.00     0.01  -0.00   0.00
     2   6     0.00   0.07  -0.02     0.00   0.02  -0.02     0.00   0.00  -0.01
     3   6     0.03   0.07  -0.04    -0.00   0.07   0.00    -0.01   0.03   0.01
     4   6     0.01   0.01   0.03     0.02  -0.09  -0.02     0.02  -0.09  -0.03
     5   6    -0.02   0.04  -0.01     0.00  -0.04  -0.02    -0.01   0.05   0.02
     6   6    -0.01  -0.03   0.00    -0.02   0.09   0.04     0.03  -0.16  -0.06
     7   8     0.01  -0.00   0.02     0.00  -0.02  -0.00    -0.01   0.03   0.01
     8   6    -0.05  -0.03   0.09    -0.02  -0.02   0.02    -0.01  -0.00   0.00
     9   6    -0.05  -0.00  -0.06    -0.01  -0.00  -0.03     0.00  -0.00  -0.01
    10   6    -0.00  -0.08   0.03    -0.01  -0.04   0.01    -0.01  -0.01   0.00
    11   6     0.00   0.02  -0.00     0.01  -0.08  -0.03    -0.02   0.11   0.04
    12   1    -0.18  -0.13  -0.01    -0.07  -0.08  -0.01    -0.01  -0.04  -0.01
    13   1     0.05   0.12   0.08     0.03   0.11   0.05     0.01   0.05   0.02
    14   1     0.12  -0.08  -0.08     0.02   0.00  -0.02    -0.01   0.00  -0.00
    15   1    -0.08  -0.17  -0.00     0.00  -0.05   0.00     0.03   0.00  -0.00
    16   1     0.08   0.00  -0.04     0.03  -0.02  -0.01     0.01  -0.01  -0.00
    17   1    -0.14  -0.05  -0.11    -0.05  -0.01  -0.01    -0.01  -0.00   0.01
    18   1    -0.10  -0.09  -0.21    -0.03  -0.03  -0.08     0.00  -0.00  -0.01
    19   1    -0.03   0.03   0.37    -0.02   0.02   0.13    -0.00   0.01   0.01
    20   1     0.12  -0.20  -0.05     0.06  -0.10   0.01     0.01  -0.03   0.01
    21   1    -0.03   0.29  -0.23     0.00   0.11  -0.07     0.00   0.02  -0.01
    22   1     0.19  -0.35   0.09     0.07  -0.07   0.02     0.01   0.00  -0.00
    23   1     0.06  -0.29  -0.08    -0.08   0.60   0.22    -0.08   0.59   0.22
    24   1    -0.01  -0.29  -0.13    -0.09   0.43   0.15    -0.04   0.20   0.07
    25   1    -0.03  -0.04   0.03     0.23   0.18  -0.16    -0.30  -0.25   0.23
    26   1     0.01  -0.04  -0.01    -0.04   0.16   0.07     0.04  -0.24  -0.08
    27   1     0.09   0.02  -0.06    -0.22  -0.03   0.21     0.34   0.05  -0.30
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1097.4212              1155.8150              1183.5416
 Red. masses --      1.8682                 1.9414                 1.9104
 Frc consts  --      1.3256                 1.5281                 1.5767
 IR Inten    --     15.7117                18.9303                40.4280
 RamAct Fr= 1--     71.4289                48.1631                35.2463
  Dep-P Fr= 1--      0.2454                 0.3935                 0.3806
  Dep-U Fr= 1--      0.3942                 0.5647                 0.5513
 Alpha2 Fr= 1--      0.8574                 0.3651                 0.2794
 Beta2  Fr= 1--      4.6923                 4.5331                 3.2388
 AlphaG Fr= 1--     -0.3013                 0.0777                -0.0175
 Gamma2 Fr= 1--     -2.7198                 0.6626                 5.3725
 Delta2 Fr= 1--      4.2914                 0.6354                 1.6764
 Raman1 Fr= 1--     285.716                192.653                140.985
 ROA1   Fr= 1--    -123.775                 83.945                569.408
 CID1   Fr= 1--      -0.433                  0.436                  4.039
 Raman2 Fr= 1--      56.307                 54.397                 38.866
 ROA2   Fr= 1--     -99.607                 10.820                115.530
 CID2   Fr= 1--      -1.769                  0.199                  2.973
 Raman3 Fr= 1--     112.615                108.794                 77.732
 ROA3   Fr= 1--    -123.775                 83.945                569.408
 CID3   Fr= 1--      -1.099                  0.772                  7.325
 RC180  Fr= 1--      -0.212                  0.129                  0.103
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.01  -0.02     0.02   0.03  -0.03    -0.09   0.02   0.01
     2   6     0.02  -0.03   0.05     0.04  -0.04   0.06     0.20  -0.03  -0.03
     3   6     0.18   0.12  -0.04     0.14  -0.10   0.09    -0.02  -0.01   0.00
     4   6    -0.03  -0.01  -0.05    -0.09   0.04  -0.09     0.01   0.01   0.00
     5   6    -0.04   0.00  -0.00    -0.01  -0.03   0.04    -0.00   0.00  -0.01
     6   6    -0.03  -0.00   0.00    -0.06  -0.01  -0.01     0.08   0.01   0.00
     7   8     0.01   0.00   0.00     0.01   0.01  -0.03    -0.01  -0.01   0.02
     8   6     0.02   0.02  -0.03    -0.05   0.02  -0.01    -0.09   0.01   0.02
     9   6    -0.05  -0.01   0.03    -0.04  -0.01  -0.04    -0.01  -0.08   0.02
    10   6    -0.01  -0.08   0.07     0.00   0.02   0.00    -0.08   0.04  -0.02
    11   6     0.03  -0.00   0.01     0.05  -0.00   0.03    -0.04   0.00  -0.02
    12   1    -0.05   0.44   0.11    -0.08  -0.27  -0.07     0.10  -0.02  -0.03
    13   1    -0.08  -0.24  -0.08     0.00   0.25   0.09    -0.12   0.32   0.06
    14   1     0.14  -0.02  -0.08     0.10   0.56   0.28    -0.15   0.00  -0.00
    15   1    -0.44  -0.30   0.05     0.13   0.03  -0.02     0.04   0.11  -0.01
    16   1     0.26   0.09  -0.07    -0.19  -0.03   0.05     0.39   0.07  -0.04
    17   1     0.06  -0.02  -0.11    -0.04  -0.04  -0.12     0.18  -0.01  -0.15
    18   1     0.05   0.01   0.17    -0.03  -0.07  -0.04     0.10   0.06   0.36
    19   1     0.04  -0.06  -0.15     0.02  -0.02   0.11     0.10  -0.13  -0.20
    20   1    -0.04   0.08   0.00     0.05  -0.10   0.04     0.11  -0.20  -0.01
    21   1     0.01  -0.07   0.06     0.01   0.20  -0.06     0.01   0.33  -0.14
    22   1    -0.06   0.11  -0.03     0.06   0.08  -0.03     0.19  -0.01  -0.01
    23   1    -0.32  -0.00  -0.04    -0.21   0.03  -0.09    -0.08  -0.04  -0.01
    24   1    -0.14  -0.05  -0.02     0.23   0.09   0.08    -0.23  -0.04  -0.03
    25   1    -0.05   0.01  -0.01    -0.10   0.02  -0.00     0.05  -0.03   0.02
    26   1     0.09   0.05  -0.08     0.17   0.07  -0.15    -0.13  -0.07   0.12
    27   1    -0.05  -0.02  -0.01    -0.07  -0.04  -0.04     0.04   0.03   0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1186.3048              1217.0610              1232.2660
 Red. masses --      1.6011                 1.8362                 1.8176
 Frc consts  --      1.3276                 1.6025                 1.6262
 IR Inten    --     22.8343                 6.2425                29.9138
 RamAct Fr= 1--      5.9162                20.8529                 2.6506
  Dep-P Fr= 1--      0.6740                 0.3597                 0.7152
  Dep-U Fr= 1--      0.8053                 0.5291                 0.8340
 Alpha2 Fr= 1--      0.0080                 0.1774                 0.0016
 Beta2  Fr= 1--      0.7940                 1.8388                 0.3684
 AlphaG Fr= 1--      0.0097                -0.0457                -0.0005
 Gamma2 Fr= 1--     -4.4260                -3.9612                 0.4428
 Delta2 Fr= 1--     -1.8206                -3.3966                 0.4652
 Raman1 Fr= 1--      23.665                 83.412                 10.602
 ROA1   Fr= 1--    -483.159               -488.963                 57.390
 CID1   Fr= 1--     -20.417                 -5.862                  5.413
 Raman2 Fr= 1--       9.528                 22.066                  4.421
 ROA2   Fr= 1--     -91.660                -67.895                  6.905
 CID2   Fr= 1--      -9.620                 -3.077                  1.562
 Raman3 Fr= 1--      19.056                 44.132                  8.842
 ROA3   Fr= 1--    -483.159               -488.963                 57.390
 CID3   Fr= 1--     -25.354                -11.080                  6.491
 RC180  Fr= 1--       0.611                  0.058                  0.668
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.01   0.03     0.05   0.01   0.01     0.03   0.04  -0.02
     2   6     0.02   0.03  -0.08    -0.13  -0.02  -0.04    -0.07  -0.10   0.05
     3   6    -0.03   0.04   0.03     0.07  -0.01   0.07    -0.03  -0.02  -0.10
     4   6    -0.03  -0.01  -0.01    -0.06   0.01  -0.06     0.08  -0.00   0.08
     5   6     0.00  -0.01   0.04    -0.00   0.00  -0.01     0.02   0.00  -0.01
     6   6    -0.14  -0.02  -0.00     0.11   0.02  -0.00    -0.11  -0.02  -0.00
     7   8     0.01   0.02  -0.04    -0.01  -0.01   0.01     0.02   0.00  -0.00
     8   6     0.00  -0.01   0.03     0.06   0.02   0.02     0.03   0.03  -0.01
     9   6     0.02  -0.04   0.06     0.05  -0.05   0.07     0.06  -0.07  -0.02
    10   6    -0.05   0.00  -0.05    -0.03   0.03  -0.08    -0.03   0.04   0.03
    11   6     0.07  -0.00   0.04    -0.04  -0.00  -0.02     0.03   0.00   0.01
    12   1     0.15   0.05  -0.00     0.21  -0.13  -0.04     0.02   0.10   0.04
    13   1    -0.12   0.11  -0.02    -0.16   0.47   0.06     0.02   0.50   0.15
    14   1     0.34  -0.33  -0.05     0.30  -0.08   0.06    -0.49   0.23  -0.06
    15   1    -0.02   0.14   0.03    -0.31   0.15   0.07    -0.19  -0.04   0.01
    16   1     0.28  -0.05  -0.00     0.28  -0.10   0.02     0.29   0.17  -0.07
    17   1     0.07   0.02   0.05    -0.11  -0.01   0.03    -0.10  -0.04  -0.13
    18   1     0.04   0.05   0.11    -0.04  -0.06  -0.10    -0.04  -0.11  -0.01
    19   1     0.01  -0.02  -0.08    -0.03   0.04   0.18     0.01  -0.02   0.17
    20   1     0.02  -0.02  -0.05    -0.06   0.16  -0.08    -0.08   0.17  -0.06
    21   1    -0.02   0.00  -0.03    -0.05  -0.16  -0.01    -0.02  -0.04  -0.03
    22   1     0.04  -0.13   0.04    -0.10  -0.13   0.06    -0.10   0.04   0.00
    23   1     0.24   0.02  -0.02    -0.24  -0.01  -0.06     0.10  -0.01   0.08
    24   1     0.55   0.04   0.06    -0.17  -0.02  -0.02     0.00   0.02   0.01
    25   1    -0.09   0.06  -0.03     0.03  -0.05   0.03    -0.01   0.05  -0.03
    26   1     0.24   0.12  -0.22    -0.15  -0.08   0.14     0.13   0.06  -0.12
    27   1    -0.08  -0.05  -0.06     0.02   0.03   0.05     0.00  -0.02  -0.06
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1246.9559              1263.0307              1280.1866
 Red. masses --      1.6031                 1.4515                 1.8590
 Frc consts  --      1.4686                 1.3642                 1.7950
 IR Inten    --     13.5092                 4.4036                 6.8116
 RamAct Fr= 1--     31.2397                24.6828                 8.7253
  Dep-P Fr= 1--      0.3341                 0.3511                 0.4342
  Dep-U Fr= 1--      0.5009                 0.5197                 0.6055
 Alpha2 Fr= 1--      0.2885                 0.2159                 0.0569
 Beta2  Fr= 1--      2.6080                 2.1381                 0.8805
 AlphaG Fr= 1--     -0.0234                 0.1297                 0.1459
 Gamma2 Fr= 1--     -1.5430                 1.5089                 4.3325
 Delta2 Fr= 1--     -3.3655                 1.9168                 2.2830
 Raman1 Fr= 1--     124.959                 98.731                 34.901
 ROA1   Fr= 1--    -255.827                206.192                488.973
 CID1   Fr= 1--      -2.047                  2.088                 14.010
 Raman2 Fr= 1--      31.296                 25.658                 10.566
 ROA2   Fr= 1--     -10.108                 20.879                 85.715
 CID2   Fr= 1--      -0.323                  0.814                  8.113
 Raman3 Fr= 1--      62.593                 51.315                 21.131
 ROA3   Fr= 1--    -255.827                206.192                488.973
 CID3   Fr= 1--      -4.087                  4.018                 23.140
 RC180  Fr= 1--       0.002                  0.039                  0.211
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.06  -0.01     0.01  -0.00  -0.01     0.00  -0.06  -0.03
     2   6    -0.00   0.15   0.06    -0.04   0.00   0.04     0.01   0.16   0.13
     3   6     0.02  -0.04  -0.05     0.01  -0.02  -0.02     0.02   0.02   0.03
     4   6     0.02   0.01   0.02    -0.05   0.00  -0.01     0.02   0.01  -0.01
     5   6     0.01   0.00  -0.01    -0.01  -0.00  -0.00     0.01   0.00   0.00
     6   6    -0.03  -0.01  -0.00     0.06   0.01  -0.00    -0.03  -0.01   0.00
     7   8     0.00  -0.00   0.00    -0.01  -0.00   0.00     0.01   0.00   0.00
     8   6    -0.00  -0.05  -0.03     0.02  -0.00  -0.01    -0.01  -0.05  -0.05
     9   6     0.00   0.06   0.04     0.04  -0.02  -0.07    -0.01  -0.13  -0.05
    10   6    -0.08  -0.04  -0.02    -0.12  -0.02   0.08     0.02   0.02  -0.04
    11   6     0.01   0.00   0.00    -0.02  -0.00  -0.01     0.01   0.00   0.00
    12   1     0.09  -0.53  -0.12    -0.14   0.34   0.11    -0.12   0.25   0.07
    13   1    -0.05  -0.14  -0.07     0.16   0.01   0.05    -0.08   0.52   0.13
    14   1    -0.09   0.28   0.03     0.33   0.07   0.03    -0.08  -0.43  -0.10
    15   1    -0.09  -0.00   0.01     0.66   0.02  -0.11     0.11   0.05  -0.04
    16   1     0.58   0.01  -0.06     0.34   0.18  -0.08    -0.28  -0.13   0.08
    17   1     0.01   0.04   0.16    -0.04  -0.01  -0.00     0.02   0.03   0.10
    18   1     0.01   0.10  -0.16    -0.02  -0.01  -0.06     0.02   0.11  -0.13
    19   1    -0.08   0.09  -0.14    -0.01   0.02   0.02    -0.08   0.08  -0.15
    20   1     0.01  -0.10   0.17    -0.04   0.06   0.02    -0.02  -0.07   0.17
    21   1     0.07  -0.06   0.13     0.01  -0.05   0.04     0.10  -0.01   0.16
    22   1    -0.02   0.11  -0.04    -0.05   0.04  -0.01    -0.00   0.16  -0.06
    23   1    -0.04  -0.02   0.02     0.16   0.02  -0.01    -0.16  -0.05  -0.02
    24   1    -0.07   0.02  -0.00     0.11   0.02  -0.00    -0.15  -0.03  -0.00
    25   1    -0.00   0.01  -0.01    -0.00  -0.03   0.02     0.00   0.02  -0.01
    26   1     0.03   0.01  -0.03    -0.07  -0.03   0.06     0.03   0.02  -0.03
    27   1     0.01  -0.00  -0.02    -0.01   0.01   0.04     0.01  -0.01  -0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1295.3859              1316.9764              1338.6069
 Red. masses --      1.4622                 1.7636                 1.4606
 Frc consts  --      1.4456                 1.8023                 1.5420
 IR Inten    --     33.2296                15.7749                 0.0446
 RamAct Fr= 1--      8.1125                 4.9748                36.4026
  Dep-P Fr= 1--      0.4059                 0.2979                 0.2955
  Dep-U Fr= 1--      0.5774                 0.4590                 0.4562
 Alpha2 Fr= 1--      0.0588                 0.0513                 0.3784
 Beta2  Fr= 1--      0.7807                 0.3806                 2.7677
 AlphaG Fr= 1--      0.0350                -0.0368                 0.0459
 Gamma2 Fr= 1--     -2.5664                 1.0815                -0.4312
 Delta2 Fr= 1--     -2.6563                 0.9256                 0.5646
 Raman1 Fr= 1--      32.450                 19.899                145.611
 ROA1   Fr= 1--    -331.373                133.445                -23.327
 CID1   Fr= 1--     -10.212                  6.706                 -0.160
 Raman2 Fr= 1--       9.368                  4.567                 33.213
 ROA2   Fr= 1--     -40.342                 18.552                -14.865
 CID2   Fr= 1--      -4.306                  4.062                 -0.448
 Raman3 Fr= 1--      18.737                  9.134                 66.426
 ROA3   Fr= 1--    -331.373                133.445                -23.327
 CID3   Fr= 1--     -17.686                 14.609                 -0.351
 RC180  Fr= 1--       0.155                 -0.082                 -0.088
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02   0.00    -0.01   0.04  -0.03     0.00  -0.01   0.01
     2   6    -0.02  -0.06  -0.02     0.03  -0.11   0.18    -0.02   0.02  -0.04
     3   6     0.04   0.03   0.08     0.00   0.07  -0.03     0.04  -0.00   0.01
     4   6     0.06   0.01  -0.02    -0.04  -0.00  -0.01     0.02   0.05  -0.12
     5   6     0.05   0.01  -0.00    -0.04  -0.01   0.03    -0.01  -0.05   0.13
     6   6    -0.09  -0.01   0.00     0.05   0.01  -0.00    -0.04  -0.01  -0.00
     7   8     0.01   0.00   0.01    -0.01  -0.00  -0.00     0.00   0.00  -0.00
     8   6     0.01   0.02   0.01    -0.00   0.02  -0.05     0.00  -0.00   0.01
     9   6     0.01   0.06   0.00    -0.01   0.06  -0.01     0.00  -0.01   0.01
    10   6    -0.08  -0.01  -0.03    -0.00  -0.01  -0.03    -0.01  -0.00  -0.00
    11   6     0.02  -0.00   0.01    -0.00   0.00  -0.01     0.02   0.00   0.01
    12   1     0.00  -0.16  -0.03     0.01  -0.51  -0.13     0.00   0.07   0.02
    13   1     0.05  -0.18  -0.05     0.06   0.06   0.05    -0.03  -0.02  -0.02
    14   1    -0.25  -0.39  -0.06     0.12  -0.48  -0.17    -0.12   0.06   0.01
    15   1     0.49   0.18  -0.06    -0.06   0.06   0.02     0.03   0.02  -0.00
    16   1     0.09  -0.06   0.00     0.02  -0.04  -0.00     0.01  -0.00  -0.01
    17   1    -0.05  -0.02  -0.05    -0.03  -0.08  -0.24     0.02   0.01   0.03
    18   1    -0.02  -0.07   0.02    -0.08  -0.09  -0.08     0.00   0.04  -0.02
    19   1     0.02  -0.02   0.06     0.08  -0.06  -0.07    -0.01   0.01   0.02
    20   1     0.00   0.03  -0.04    -0.07   0.08   0.05     0.02  -0.02  -0.01
    21   1    -0.03  -0.01  -0.03     0.05   0.07   0.03    -0.02  -0.03  -0.02
    22   1    -0.01  -0.04   0.01    -0.05   0.18  -0.05    -0.00  -0.04   0.02
    23   1    -0.48  -0.10  -0.02     0.42   0.04  -0.03     0.66   0.16  -0.13
    24   1    -0.31  -0.07  -0.02     0.10  -0.02   0.02    -0.64  -0.15   0.11
    25   1     0.02   0.06  -0.04    -0.02  -0.04   0.02    -0.02   0.03  -0.02
    26   1     0.08   0.05  -0.09    -0.05  -0.02   0.05     0.03   0.01  -0.01
    27   1     0.03  -0.02  -0.06    -0.03   0.01   0.04    -0.01  -0.02  -0.04
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1381.8526              1398.8494              1406.0830
 Red. masses --      1.2815                 1.5329                 1.3440
 Frc consts  --      1.4418                 1.7673                 1.5656
 IR Inten    --     15.9120                65.5414                18.5826
 RamAct Fr= 1--      1.3402                 5.8525                 1.0299
  Dep-P Fr= 1--      0.7131                 0.1453                 0.1117
  Dep-U Fr= 1--      0.8325                 0.2538                 0.2010
 Alpha2 Fr= 1--      0.0009                 0.0916                 0.0175
 Beta2  Fr= 1--      0.1860                 0.2475                 0.0345
 AlphaG Fr= 1--      0.0015                 0.0384                -0.0162
 Gamma2 Fr= 1--     -0.5571                 0.2658                 0.0647
 Delta2 Fr= 1--     -0.3917                 0.0441                -0.0582
 Raman1 Fr= 1--       5.361                 23.410                  4.120
 ROA1   Fr= 1--     -66.018                 26.931                  4.347
 CID1   Fr= 1--     -12.315                  1.150                  1.055
 Raman2 Fr= 1--       2.231                  2.970                  0.414
 ROA2   Fr= 1--     -10.237                  6.027                  2.017
 CID2   Fr= 1--      -4.588                  2.029                  4.873
 Raman3 Fr= 1--       4.463                  5.941                  0.828
 ROA3   Fr= 1--     -66.018                 26.931                  4.347
 CID3   Fr= 1--     -14.793                  4.533                  5.250
 RC180  Fr= 1--       0.665                 -0.492                 -0.598
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.00    -0.00   0.01   0.03     0.01   0.00   0.08
     2   6     0.01  -0.01   0.02     0.01  -0.02   0.03    -0.01   0.03  -0.05
     3   6    -0.06  -0.01  -0.01    -0.13  -0.02  -0.01     0.05   0.00   0.01
     4   6     0.00   0.00  -0.01     0.05   0.01  -0.02    -0.01  -0.00   0.01
     5   6     0.03   0.01   0.00     0.09   0.01   0.00    -0.03  -0.00  -0.00
     6   6     0.02   0.01  -0.01    -0.09  -0.02  -0.00     0.02   0.00   0.00
     7   8    -0.00  -0.00   0.00     0.01  -0.00   0.01    -0.00   0.00  -0.00
     8   6    -0.00  -0.00  -0.00     0.00  -0.03   0.01     0.02  -0.11   0.06
     9   6     0.00   0.00  -0.01     0.00   0.00  -0.01     0.00  -0.00   0.01
    10   6     0.01   0.00   0.01     0.02   0.01   0.02    -0.01   0.00  -0.01
    11   6    -0.10  -0.04   0.08     0.07   0.02  -0.03    -0.02  -0.00   0.01
    12   1     0.02  -0.01  -0.02     0.05   0.00  -0.03    -0.01   0.05   0.02
    13   1     0.04   0.01   0.03     0.08   0.01   0.06    -0.04  -0.03  -0.04
    14   1     0.32   0.04   0.03     0.63   0.10   0.06    -0.25   0.00  -0.00
    15   1    -0.07  -0.02   0.02    -0.11  -0.03   0.03     0.05  -0.01  -0.03
    16   1     0.00   0.03  -0.01     0.00   0.06  -0.02     0.01  -0.05   0.03
    17   1     0.01  -0.02  -0.05     0.02  -0.08  -0.16    -0.01  -0.16  -0.23
    18   1    -0.03  -0.01  -0.03    -0.09  -0.02  -0.14    -0.13   0.04  -0.27
    19   1     0.03  -0.02  -0.05     0.07  -0.02  -0.17     0.04   0.07  -0.29
    20   1    -0.02   0.03  -0.00    -0.11   0.13  -0.06    -0.25   0.30  -0.24
    21   1     0.02   0.03   0.00     0.05   0.15  -0.06     0.07   0.35  -0.30
    22   1     0.00   0.03  -0.01    -0.01   0.15  -0.01    -0.07   0.42  -0.00
    23   1    -0.04   0.00  -0.01    -0.22  -0.02  -0.02     0.03   0.01   0.01
    24   1    -0.16  -0.02  -0.01    -0.36  -0.06  -0.01     0.12   0.02   0.00
    25   1     0.37   0.38  -0.17    -0.20  -0.14   0.05     0.04   0.02  -0.01
    26   1     0.20   0.16  -0.36    -0.06  -0.06   0.15     0.01   0.01  -0.03
    27   1     0.45  -0.07  -0.32    -0.22   0.01   0.10     0.05  -0.00  -0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1422.5777              1464.8602              1474.3214
 Red. masses --      1.2288                 1.0592                 1.0480
 Frc consts  --      1.4652                 1.3391                 1.3421
 IR Inten    --      3.5633                15.0211                 9.1616
 RamAct Fr= 1--      1.6906                 7.7412                 4.8606
  Dep-P Fr= 1--      0.5832                 0.3456                 0.7492
  Dep-U Fr= 1--      0.7368                 0.5137                 0.8566
 Alpha2 Fr= 1--      0.0053                 0.0689                 0.0001
 Beta2  Fr= 1--      0.2076                 0.6627                 0.6939
 AlphaG Fr= 1--     -0.0037                 0.0192                 0.0020
 Gamma2 Fr= 1--     -0.0134                 0.3578                 0.1030
 Delta2 Fr= 1--      0.0372                 0.1435                 0.0859
 Raman1 Fr= 1--       6.762                 30.965                 19.442
 ROA1   Fr= 1--      -0.095                 38.944                 12.640
 CID1   Fr= 1--      -0.014                  1.258                  0.650
 Raman2 Fr= 1--       2.491                  7.953                  8.327
 ROA2   Fr= 1--      -0.619                  7.440                  1.785
 CID2   Fr= 1--      -0.249                  0.935                  0.214
 Raman3 Fr= 1--       4.982                 15.906                 16.655
 ROA3   Fr= 1--      -0.095                 38.944                 12.640
 CID3   Fr= 1--      -0.019                  2.448                  0.759
 RC180  Fr= 1--       0.474                  0.027                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02  -0.11    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00   0.00   0.01    -0.00  -0.00   0.00     0.00   0.00   0.00
     3   6    -0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.01     0.01   0.00  -0.01     0.00  -0.00  -0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.01    -0.00   0.01   0.00
     6   6    -0.00  -0.00  -0.00    -0.01  -0.01   0.02     0.00  -0.02  -0.01
     7   8     0.00  -0.00   0.00     0.00   0.01  -0.02    -0.00   0.00   0.00
     8   6     0.02  -0.07   0.03    -0.00   0.00  -0.00    -0.00   0.00   0.00
     9   6    -0.01   0.01   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   6     0.00  -0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6     0.00   0.00   0.00    -0.05   0.00  -0.03     0.01  -0.05  -0.02
    12   1     0.06  -0.04  -0.04     0.01   0.00  -0.00     0.00   0.00  -0.00
    13   1     0.05  -0.03   0.04     0.01  -0.00   0.01     0.00   0.00   0.00
    14   1     0.07  -0.04  -0.00     0.02   0.00   0.00     0.00   0.00   0.00
    15   1    -0.01   0.03   0.02    -0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1    -0.00   0.03  -0.03    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1     0.01   0.23   0.38     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   1     0.23   0.02   0.40    -0.00   0.00  -0.00     0.00   0.00   0.00
    19   1    -0.14  -0.04   0.45     0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   1    -0.21   0.24  -0.12    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    21   1     0.09   0.28  -0.17     0.00  -0.00   0.00    -0.00  -0.00   0.00
    22   1    -0.04   0.30  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   1     0.01  -0.00  -0.01     0.00   0.00  -0.01    -0.00   0.01   0.00
    24   1    -0.03  -0.01   0.00    -0.05  -0.01   0.01     0.00  -0.01  -0.00
    25   1    -0.00   0.00  -0.00     0.28  -0.45   0.33    -0.47   0.02  -0.11
    26   1     0.00  -0.00   0.00     0.21   0.17  -0.37    -0.12   0.68   0.24
    27   1    -0.00  -0.00  -0.00     0.17   0.21   0.57     0.45   0.09   0.15
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1483.3164              1486.5986              1492.6731
 Red. masses --      1.0697                 1.0460                 1.0651
 Frc consts  --      1.3867                 1.3620                 1.3982
 IR Inten    --      1.0288                 0.3068                 8.2866
 RamAct Fr= 1--      7.1101                 7.6145                10.0308
  Dep-P Fr= 1--      0.6827                 0.7082                 0.7001
  Dep-U Fr= 1--      0.8114                 0.8292                 0.8236
 Alpha2 Fr= 1--      0.0084                 0.0055                 0.0087
 Beta2  Fr= 1--      0.9616                 1.0523                 1.3769
 AlphaG Fr= 1--      0.0050                 0.0070                -0.0380
 Gamma2 Fr= 1--      1.3809                -1.6931                -1.6057
 Delta2 Fr= 1--      0.0764                -0.7504                 0.4724
 Raman1 Fr= 1--      28.440                 30.458                 40.123
 ROA1   Fr= 1--     135.015               -186.555               -139.032
 CID1   Fr= 1--       4.747                 -6.125                 -3.465
 Raman2 Fr= 1--      11.539                 12.627                 16.522
 ROA2   Fr= 1--      32.531                -34.632                -42.317
 CID2   Fr= 1--       2.819                 -2.743                 -2.561
 Raman3 Fr= 1--      23.078                 25.255                 33.045
 ROA3   Fr= 1--     135.015               -186.555               -139.032
 CID3   Fr= 1--       5.850                 -7.387                 -4.207
 RC180  Fr= 1--       0.623                  0.658                  0.647
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.00     0.04  -0.00  -0.00     0.00  -0.02  -0.00
     2   6    -0.00  -0.01   0.01    -0.01  -0.00   0.00     0.01   0.00   0.03
     3   6    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.01  -0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.01   0.02   0.02    -0.04  -0.00   0.01     0.01   0.01   0.03
     9   6    -0.05   0.00  -0.01    -0.01   0.00  -0.00     0.02  -0.00  -0.00
    10   6    -0.01   0.04  -0.00    -0.00   0.01  -0.00     0.01  -0.04   0.00
    11   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    12   1     0.36   0.08  -0.21     0.08   0.01  -0.04    -0.17  -0.07   0.09
    13   1     0.30  -0.03   0.29     0.06  -0.01   0.06    -0.14   0.04  -0.12
    14   1     0.01  -0.02  -0.01     0.01   0.00  -0.01     0.04  -0.02  -0.00
    15   1     0.03  -0.30  -0.21    -0.01  -0.08  -0.05    -0.03   0.30   0.21
    16   1     0.08  -0.26   0.22     0.03  -0.06   0.06    -0.09   0.26  -0.23
    17   1     0.15  -0.06  -0.14    -0.41  -0.08   0.01    -0.01  -0.07  -0.12
    18   1     0.11   0.28  -0.05     0.05  -0.14   0.20     0.11   0.18   0.03
    19   1    -0.13   0.10   0.13    -0.13   0.24  -0.17    -0.15   0.16   0.04
    20   1     0.17  -0.15  -0.10     0.03   0.04  -0.43     0.26  -0.22  -0.29
    21   1    -0.18  -0.18  -0.20     0.06  -0.12   0.31    -0.27  -0.28  -0.26
    22   1    -0.13   0.15   0.01     0.54   0.13  -0.08    -0.08   0.31  -0.00
    23   1    -0.00  -0.00  -0.00     0.02   0.00  -0.00    -0.01  -0.01   0.00
    24   1     0.00   0.00   0.00    -0.01  -0.00   0.00    -0.01  -0.00  -0.00
    25   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    27   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1502.6894              1506.1397              1509.9659
 Red. masses --      1.1098                 1.0614                 1.0623
 Frc consts  --      1.4765                 1.4186                 1.4270
 IR Inten    --      3.0385                 7.3991                 5.0762
 RamAct Fr= 1--      8.0368                 3.8225                 2.0365
  Dep-P Fr= 1--      0.4273                 0.7479                 0.5749
  Dep-U Fr= 1--      0.5987                 0.8558                 0.7301
 Alpha2 Fr= 1--      0.0538                 0.0001                 0.0067
 Beta2  Fr= 1--      0.8020                 0.5452                 0.2478
 AlphaG Fr= 1--     -0.0020                -0.0016                 0.0008
 Gamma2 Fr= 1--     -0.3534                 0.6230                -0.0314
 Delta2 Fr= 1--     -0.4758                -0.9193                 0.2508
 Raman1 Fr= 1--      32.147                 15.290                  8.146
 ROA1   Fr= 1--     -49.157                 30.392                  5.006
 CID1   Fr= 1--      -1.529                  1.988                  0.615
 Raman2 Fr= 1--       9.624                  6.543                  2.974
 ROA2   Fr= 1--      -4.676                 22.306                 -2.761
 CID2   Fr= 1--      -0.486                  3.409                 -0.929
 Raman3 Fr= 1--      19.247                 13.085                  5.947
 ROA3   Fr= 1--     -49.157                 30.392                  5.006
 CID3   Fr= 1--      -2.554                  2.323                  0.842
 RC180  Fr= 1--       0.197                  0.712                  0.460
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.00    -0.00  -0.03   0.02    -0.04  -0.00  -0.00
     2   6    -0.02   0.04   0.00    -0.01  -0.03  -0.01    -0.03  -0.01   0.01
     3   6     0.02  -0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     7   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6    -0.01  -0.01   0.01    -0.01  -0.00  -0.02    -0.02  -0.00   0.01
     9   6    -0.06  -0.01  -0.00    -0.02   0.00   0.00     0.04   0.01   0.00
    10   6     0.01  -0.05  -0.01     0.00  -0.03  -0.00    -0.00   0.02   0.00
    11   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    12   1     0.37   0.11  -0.21     0.13   0.03  -0.07    -0.19  -0.06   0.11
    13   1     0.29  -0.03   0.30     0.11  -0.02   0.10    -0.15   0.03  -0.16
    14   1    -0.08   0.00  -0.00    -0.04   0.01  -0.00     0.01   0.00   0.00
    15   1    -0.01   0.30   0.20    -0.01   0.23   0.15     0.01  -0.12  -0.08
    16   1    -0.07   0.24  -0.23    -0.06   0.19  -0.17     0.04  -0.10   0.09
    17   1     0.15   0.12   0.15     0.15  -0.15  -0.30     0.50   0.10  -0.02
    18   1    -0.18  -0.21  -0.15     0.18   0.46  -0.06    -0.05   0.20  -0.25
    19   1     0.26  -0.30  -0.04    -0.25   0.24   0.16     0.13  -0.28   0.26
    20   1     0.05  -0.03  -0.15    -0.17   0.16   0.12     0.01   0.04  -0.33
    21   1    -0.03  -0.09   0.05     0.19   0.16   0.26     0.03  -0.10   0.21
    22   1     0.13   0.08  -0.02     0.17  -0.22  -0.01     0.37   0.12  -0.06
    23   1     0.00   0.00   0.01    -0.01  -0.01   0.00    -0.01   0.00   0.01
    24   1     0.02   0.01   0.00     0.01   0.00  -0.00    -0.00   0.00  -0.00
    25   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    26   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    27   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1673.1414              1762.0774              3017.6675
 Red. masses --      6.5805                 8.5244                 1.0347
 Frc consts  --     10.8537                15.5942                 5.5513
 IR Inten    --    238.3854               113.5633                24.8922
 RamAct Fr= 1--    777.0698                27.1328                98.4821
  Dep-P Fr= 1--      0.2707                 0.7378                 0.0348
  Dep-U Fr= 1--      0.4261                 0.8491                 0.0673
 Alpha2 Fr= 1--      8.6837                 0.0056                 2.0165
 Beta2  Fr= 1--     55.1864                 3.8399                 1.1054
 AlphaG Fr= 1--     -1.6457                 0.0377                -0.2059
 Gamma2 Fr= 1--    -17.7477                 1.3446                -0.6808
 Delta2 Fr= 1--      3.2222                -0.2117                -1.4151
 Raman1 Fr= 1--    3108.279                108.531                393.929
 ROA1   Fr= 1--   -1600.666                122.303               -110.642
 CID1   Fr= 1--      -0.515                  1.127                 -0.281
 Raman2 Fr= 1--     662.236                 46.079                 13.265
 ROA2   Fr= 1--    -451.722                 33.963                 -5.019
 CID2   Fr= 1--      -0.682                  0.737                 -0.378
 Raman3 Fr= 1--    1324.473                 92.158                 26.529
 ROA3   Fr= 1--   -1600.666                122.303               -110.642
 CID3   Fr= 1--      -1.209                  1.327                 -4.171
 RC180  Fr= 1--      -0.148                  0.698                 -0.865
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.01
     2   6    -0.02   0.00   0.01     0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6    -0.08  -0.02  -0.01     0.04   0.01  -0.00    -0.00  -0.00   0.00
     4   6     0.43   0.12  -0.12    -0.21  -0.06   0.07    -0.00   0.00   0.00
     5   6    -0.40  -0.11   0.10     0.21   0.07  -0.11    -0.00  -0.00   0.00
     6   6     0.09  -0.07   0.24     0.02  -0.20   0.57     0.00  -0.00   0.00
     7   8    -0.03   0.05  -0.16    -0.03   0.12  -0.36    -0.00   0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.04  -0.01
     9   6     0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    10   6    -0.01  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6     0.00   0.00  -0.01     0.00   0.01  -0.04    -0.00  -0.00  -0.00
    12   1    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.02   0.01  -0.03
    13   1     0.01   0.01   0.00     0.00  -0.00   0.01    -0.02  -0.01   0.02
    14   1     0.23   0.04   0.01    -0.10  -0.01  -0.02     0.00   0.01  -0.05
    15   1     0.01   0.01   0.01    -0.01  -0.00   0.00     0.00  -0.00   0.00
    16   1     0.04   0.04  -0.03    -0.01  -0.00   0.00    -0.00   0.00  -0.00
    17   1     0.02  -0.00  -0.00     0.00   0.00   0.00     0.02  -0.09   0.04
    18   1    -0.01   0.00  -0.03     0.00  -0.00   0.00    -0.11   0.05   0.05
    19   1     0.01  -0.01   0.01     0.00  -0.00   0.00     0.09   0.08   0.02
    20   1     0.01   0.00  -0.01    -0.00   0.00   0.00    -0.45  -0.36  -0.09
    21   1    -0.01  -0.03   0.01     0.00   0.00   0.00     0.49  -0.23  -0.23
    22   1    -0.00   0.02  -0.00     0.00  -0.00  -0.00     0.06   0.07   0.50
    23   1    -0.49  -0.03  -0.13     0.24   0.00   0.10    -0.00  -0.00  -0.00
    24   1     0.34  -0.00   0.17    -0.39  -0.01  -0.15     0.00   0.00  -0.00
    25   1     0.03   0.08  -0.05     0.04   0.13  -0.10    -0.00   0.00   0.00
    26   1    -0.06  -0.04   0.09    -0.13  -0.09   0.18     0.00  -0.00   0.00
    27   1     0.04  -0.02  -0.09     0.07  -0.02  -0.16    -0.00   0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3028.5202              3029.5725              3045.8029
 Red. masses --      1.0355                 1.0378                 1.0808
 Frc consts  --      5.5959                 5.6123                 5.9072
 IR Inten    --     24.5093                 3.0158                12.6816
 RamAct Fr= 1--    176.9491               210.1625                36.7842
  Dep-P Fr= 1--      0.0305                 0.0166                 0.3531
  Dep-U Fr= 1--      0.0592                 0.0327                 0.5220
 Alpha2 Fr= 1--      3.6607                 4.4920                 0.3197
 Beta2  Fr= 1--      1.7452                 1.1463                 3.1999
 AlphaG Fr= 1--     -0.4280                 0.4233                -0.0728
 Gamma2 Fr= 1--      2.3631                 0.4335                -4.0813
 Delta2 Fr= 1--      0.4283                -1.3788                -6.3356
 Raman1 Fr= 1--     707.796                840.650                147.137
 ROA1   Fr= 1--     240.568                 -2.505               -594.541
 CID1   Fr= 1--       0.340                 -0.003                 -4.041
 Raman2 Fr= 1--      20.943                 13.755                 38.399
 ROA2   Fr= 1--      53.289                 21.435                -47.266
 CID2   Fr= 1--       2.545                  1.558                 -1.231
 Raman3 Fr= 1--      41.886                 27.511                 76.799
 ROA3   Fr= 1--     240.568                 -2.505               -594.541
 CID3   Fr= 1--       5.743                 -0.091                 -7.742
 RC180  Fr= 1--      -0.882                 -0.935                  0.044
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.05    -0.00   0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.01     0.00  -0.00   0.00     0.00   0.02  -0.07
     4   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     9   6     0.01  -0.00   0.00     0.00  -0.00   0.00     0.02   0.00   0.00
    10   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    11   6     0.00   0.00  -0.00    -0.02  -0.02   0.04    -0.00   0.00  -0.00
    12   1    -0.03   0.01  -0.05    -0.00   0.00  -0.00    -0.11   0.04  -0.22
    13   1    -0.04  -0.01   0.05    -0.00  -0.00   0.00    -0.15  -0.06   0.17
    14   1     0.00   0.02  -0.07     0.00   0.00  -0.00    -0.05  -0.25   0.88
    15   1     0.01  -0.02   0.04     0.00  -0.00   0.00    -0.04   0.08  -0.13
    16   1    -0.00  -0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    17   1    -0.09   0.44  -0.22    -0.00   0.01  -0.00    -0.01   0.02  -0.01
    18   1     0.51  -0.24  -0.23     0.01  -0.00  -0.00     0.02  -0.01  -0.01
    19   1    -0.43  -0.35  -0.11    -0.01  -0.00  -0.00    -0.02  -0.02  -0.01
    20   1    -0.09  -0.07  -0.02    -0.00  -0.00  -0.00    -0.02  -0.02  -0.00
    21   1     0.09  -0.04  -0.04     0.00  -0.00  -0.00     0.05  -0.03  -0.02
    22   1     0.01   0.01   0.11     0.00   0.00   0.00    -0.00  -0.00  -0.02
    23   1     0.00  -0.01   0.02     0.00   0.00  -0.00    -0.00   0.02  -0.06
    24   1     0.00  -0.00   0.00    -0.00  -0.01   0.02    -0.00   0.01  -0.02
    25   1    -0.00   0.00   0.01     0.07  -0.37  -0.53    -0.00   0.00  -0.00
    26   1    -0.00   0.00  -0.00     0.30  -0.02   0.21     0.00  -0.00   0.00
    27   1     0.00  -0.01   0.00    -0.11   0.62  -0.19     0.00  -0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3051.9667              3062.7875              3076.3744
 Red. masses --      1.0613                 1.0600                 1.1012
 Frc consts  --      5.8242                 5.8585                 6.1406
 IR Inten    --     47.2877                27.8421                15.1872
 RamAct Fr= 1--    224.9854               153.3662                52.7330
  Dep-P Fr= 1--      0.0828                 0.0679                 0.6732
  Dep-U Fr= 1--      0.1529                 0.1272                 0.8047
 Alpha2 Fr= 1--      4.1077                 2.9022                 0.0717
 Beta2  Fr= 1--      5.7343                 3.2524                 7.0722
 AlphaG Fr= 1--     -0.1187                 0.1380                -0.0012
 Gamma2 Fr= 1--      2.5971                 4.5592                 3.8798
 Delta2 Fr= 1--      1.2636                -8.0191                 1.8444
 Raman1 Fr= 1--     899.942                613.465                210.932
 ROA1   Fr= 1--     289.760                181.067                431.484
 CID1   Fr= 1--       0.322                  0.295                  2.046
 Raman2 Fr= 1--      68.811                 39.029                 84.866
 ROA2   Fr= 1--      52.222                173.573                 78.361
 CID2   Fr= 1--       0.759                  4.447                  0.923
 Raman3 Fr= 1--     137.622                 78.058                169.732
 ROA3   Fr= 1--     289.760                181.067                431.484
 CID3   Fr= 1--       2.105                  2.320                  2.542
 RC180  Fr= 1--      -0.694                 -0.746                  0.609
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.01     0.00  -0.01  -0.00     0.02  -0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00   0.01  -0.03    -0.00   0.00  -0.01     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     7   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.01   0.00    -0.00  -0.00   0.00    -0.09  -0.01   0.02
     9   6    -0.06  -0.00  -0.02     0.01  -0.00   0.01    -0.00  -0.00   0.00
    10   6     0.00   0.01   0.01    -0.01   0.06  -0.02     0.00  -0.00  -0.00
    11   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   1     0.33  -0.12   0.61    -0.08   0.03  -0.15    -0.00   0.00  -0.01
    13   1     0.38   0.15  -0.43     0.00   0.00   0.00     0.02   0.01  -0.02
    14   1    -0.02  -0.09   0.31    -0.00  -0.02   0.07     0.00   0.01  -0.03
    15   1     0.00  -0.01   0.02     0.17  -0.38   0.66    -0.00   0.01  -0.01
    16   1    -0.00  -0.10  -0.12    -0.01  -0.35  -0.47     0.00   0.02   0.02
    17   1    -0.01   0.04  -0.02    -0.01   0.03  -0.02    -0.00   0.03  -0.02
    18   1     0.04  -0.02  -0.02    -0.06   0.02   0.03    -0.13   0.06   0.06
    19   1    -0.05  -0.04  -0.01     0.03   0.02   0.01    -0.11  -0.09  -0.03
    20   1    -0.05  -0.05  -0.01     0.01   0.01   0.00     0.50   0.43   0.11
    21   1     0.06  -0.03  -0.03     0.01  -0.00  -0.00     0.58  -0.29  -0.27
    22   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.02    -0.03  -0.01  -0.05
    23   1    -0.00   0.01  -0.02     0.00   0.01  -0.02     0.00  -0.00   0.01
    24   1    -0.00   0.00  -0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    26   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    27   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3081.3391              3085.2505              3087.8658
 Red. masses --      1.0984                 1.1017                 1.1013
 Frc consts  --      6.1447                 6.1789                 6.1872
 IR Inten    --      8.8081                23.9431                39.8047
 RamAct Fr= 1--     59.2615                48.6917                92.9360
  Dep-P Fr= 1--      0.7491                 0.6888                 0.7420
  Dep-U Fr= 1--      0.8566                 0.8157                 0.8519
 Alpha2 Fr= 1--      0.0009                 0.0523                 0.0126
 Beta2  Fr= 1--      8.4602                 6.6196                13.1954
 AlphaG Fr= 1--     -0.0160                -0.2507                 0.0098
 Gamma2 Fr= 1--      2.9286                14.7573                14.9090
 Delta2 Fr= 1--      3.4231                13.5113                 6.0952
 Raman1 Fr= 1--     237.046                194.767                371.744
 ROA1   Fr= 1--     390.682               1849.058               1626.313
 CID1   Fr= 1--       1.648                  9.494                  4.375
 Raman2 Fr= 1--     101.523                 79.436                158.345
 ROA2   Fr= 1--      42.900                246.083                309.054
 CID2   Fr= 1--       0.423                  3.098                  1.952
 Raman3 Fr= 1--     203.045                158.871                316.691
 ROA3   Fr= 1--     390.682               1849.058               1626.313
 CID3   Fr= 1--       1.924                 11.639                  5.135
 RC180  Fr= 1--       0.713                  0.631                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00   0.01  -0.00    -0.09   0.01   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00   0.00     0.00   0.00  -0.01     0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     7   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.01  -0.04  -0.08    -0.02  -0.00   0.01
     9   6     0.00   0.00  -0.00    -0.01  -0.00   0.02     0.00   0.00  -0.01
    10   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.01
    11   6     0.01  -0.08  -0.03     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   1     0.00  -0.00   0.00    -0.05   0.02  -0.08     0.04  -0.01   0.06
    13   1    -0.00  -0.00   0.00     0.11   0.04  -0.12    -0.06  -0.02   0.06
    14   1     0.00   0.00  -0.00    -0.01  -0.02   0.07     0.00   0.00  -0.01
    15   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.05  -0.07
    17   1     0.00  -0.00   0.00     0.02  -0.08   0.04     0.03  -0.24   0.12
    18   1    -0.00   0.00   0.00     0.04  -0.02  -0.02     0.61  -0.29  -0.29
    19   1    -0.00  -0.00  -0.00    -0.02  -0.02  -0.01     0.41   0.36   0.12
    20   1     0.00   0.00   0.00     0.30   0.25   0.04     0.11   0.09   0.02
    21   1     0.00  -0.00  -0.00    -0.26   0.12   0.10     0.14  -0.07  -0.06
    22   1    -0.00  -0.00  -0.01     0.11   0.09   0.82    -0.01  -0.00  -0.03
    23   1     0.00  -0.00   0.00    -0.00   0.01  -0.02    -0.00   0.01  -0.03
    24   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    25   1    -0.07   0.38   0.59    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1     0.00  -0.02  -0.01     0.00  -0.00  -0.00     0.00  -0.00   0.00
    27   1    -0.11   0.66  -0.22    -0.00   0.00  -0.00    -0.00   0.00  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3094.3239              3095.4856              3114.5789
 Red. masses --      1.1064                 1.1019                 1.1077
 Frc consts  --      6.2413                 6.2208                 6.3310
 IR Inten    --     13.6079                39.4218                46.6982
 RamAct Fr= 1--    123.8404                32.4813                93.5690
  Dep-P Fr= 1--      0.5970                 0.4056                 0.5954
  Dep-U Fr= 1--      0.7476                 0.5771                 0.7464
 Alpha2 Fr= 1--      0.3516                 0.2358                 0.2687
 Beta2  Fr= 1--     15.4313                 3.1244                11.6395
 AlphaG Fr= 1--      0.0691                 0.5006                 0.1194
 Gamma2 Fr= 1--    -40.4901                24.9866                -5.5151
 Delta2 Fr= 1--    -23.7461                22.1807                -8.6932
 Raman1 Fr= 1--     495.362                129.925                374.276
 ROA1   Fr= 1--   -4646.930               3108.500               -807.634
 CID1   Fr= 1--      -9.381                 23.925                 -2.158
 Raman2 Fr= 1--     185.176                 37.493                139.674
 ROA2   Fr= 1--    -781.795                422.234                -62.817
 CID2   Fr= 1--      -4.222                 11.262                 -0.450
 Raman3 Fr= 1--     370.351                 74.986                279.348
 ROA3   Fr= 1--   -4646.930               3108.500               -807.634
 CID3   Fr= 1--     -12.547                 41.454                 -2.891
 RC180  Fr= 1--       0.495                  0.154                  0.493
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.04   0.01    -0.02  -0.08   0.01     0.00   0.01  -0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.01
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     7   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6    -0.00  -0.01  -0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
     9   6     0.01   0.02  -0.07    -0.01  -0.01   0.03     0.00   0.01  -0.04
    10   6     0.00   0.01   0.03    -0.00  -0.01  -0.02    -0.01  -0.01  -0.08
    11   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   1     0.24  -0.08   0.42    -0.09   0.03  -0.16     0.16  -0.05   0.28
    13   1    -0.41  -0.16   0.44     0.18   0.07  -0.20    -0.19  -0.07   0.20
    14   1     0.00   0.01  -0.04    -0.00  -0.01   0.04    -0.01  -0.03   0.11
    15   1    -0.03   0.08  -0.12     0.02  -0.05   0.07     0.13  -0.30   0.47
    16   1    -0.00  -0.20  -0.25     0.00   0.17   0.22     0.00   0.42   0.52
    17   1    -0.07   0.32  -0.17    -0.13   0.62  -0.32     0.02  -0.09   0.05
    18   1    -0.13   0.05   0.07    -0.06   0.01   0.03     0.02  -0.00  -0.01
    19   1     0.14   0.10   0.04     0.41   0.32   0.11    -0.04  -0.03  -0.01
    20   1     0.07   0.06   0.01     0.02   0.02   0.00     0.01   0.01   0.00
    21   1    -0.05   0.02   0.02     0.01  -0.01  -0.01    -0.01   0.00   0.00
    22   1     0.02   0.02   0.18     0.00   0.00   0.01     0.01   0.00   0.06
    23   1     0.00  -0.01   0.02     0.00  -0.01   0.02    -0.00   0.02  -0.06
    24   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3143.8407              3145.4835              3150.5968
 Red. masses --      1.0910                 1.1000                 1.0863
 Frc consts  --      6.3533                 6.4126                 6.3529
 IR Inten    --      0.4467                13.4028                15.0975
 RamAct Fr= 1--     87.2308                88.1856                 7.8279
  Dep-P Fr= 1--      0.1656                 0.6751                 0.6977
  Dep-U Fr= 1--      0.2842                 0.8060                 0.8219
 Alpha2 Fr= 1--      1.2957                 0.1169                 0.0071
 Beta2  Fr= 1--      4.1318                11.8464                 1.0723
 AlphaG Fr= 1--      0.1294                -0.0872                 0.0371
 Gamma2 Fr= 1--     -5.8009                -0.7708                 2.0725
 Delta2 Fr= 1--     -4.5261                -1.5154                 1.2503
 Raman1 Fr= 1--     348.923                352.743                 31.312
 ROA1   Fr= 1--    -701.719               -122.494                238.967
 CID1   Fr= 1--      -2.011                 -0.347                  7.632
 Raman2 Fr= 1--      49.582                142.157                 12.868
 ROA2   Fr= 1--    -103.012                 -6.377                 39.738
 CID2   Fr= 1--      -2.078                 -0.045                  3.088
 Raman3 Fr= 1--      99.163                284.314                 25.736
 ROA3   Fr= 1--    -701.719               -122.494                238.967
 CID3   Fr= 1--      -7.076                 -0.431                  9.285
 RC180  Fr= 1--      -0.432                  0.612                  0.644
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6     0.00   0.02  -0.06     0.00  -0.01   0.02    -0.01   0.02  -0.05
     5   6    -0.00  -0.02   0.05     0.00   0.00  -0.00    -0.00   0.02  -0.06
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     7   8    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.02   0.00  -0.01    -0.06   0.01  -0.06    -0.01   0.00  -0.01
    12   1     0.00  -0.00   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.01
    13   1    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.01  -0.00   0.01
    14   1    -0.00  -0.01   0.03     0.00   0.01  -0.02     0.00  -0.02   0.06
    15   1     0.01  -0.02   0.02    -0.00   0.01  -0.01     0.00  -0.01   0.02
    16   1     0.00   0.01   0.01    -0.00  -0.00  -0.01     0.00   0.01   0.01
    17   1     0.01  -0.03   0.01    -0.00   0.01  -0.01     0.01  -0.03   0.01
    18   1     0.01  -0.01  -0.00    -0.01   0.00   0.00     0.01  -0.01  -0.00
    19   1     0.01   0.01   0.00    -0.00  -0.00  -0.00     0.01   0.01   0.00
    20   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    22   1     0.00   0.00   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.01
    23   1     0.04  -0.23   0.66    -0.02   0.09  -0.26     0.04  -0.21   0.61
    24   1    -0.01   0.22  -0.62     0.00  -0.02   0.05     0.01  -0.25   0.70
    25   1    -0.01   0.03   0.04    -0.04   0.14   0.19    -0.01   0.03   0.04
    26   1     0.19  -0.01   0.12     0.74  -0.04   0.49     0.11  -0.01   0.07
    27   1     0.01  -0.05   0.01     0.03  -0.23   0.06     0.01  -0.04   0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   821.588273645.118703714.03991
           X            0.99986   0.00243  -0.01626
           Y           -0.00317   0.99895  -0.04580
           Z            0.01613   0.04585   0.99882
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10542     0.02376     0.02332
 Rotational constants (GHZ):           2.19665     0.49511     0.48592
 Zero-point vibrational energy     621694.5 (Joules/Mol)
                                  148.58856 (Kcal/Mol)
 Warning -- explicit consideration of  18 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     46.20    91.33   113.17   166.20   192.95
          (Kelvin)            225.55   318.18   353.10   378.33   412.30
                              459.17   495.94   525.96   593.22   635.60
                              739.71   842.68   856.05   907.38  1049.83
                             1152.05  1228.23  1267.39  1301.71  1317.58
                             1367.47  1379.71  1392.47  1396.44  1445.41
                             1471.57  1482.52  1514.15  1578.94  1662.96
                             1702.85  1706.83  1751.08  1772.96  1794.09
                             1817.22  1841.90  1863.77  1894.84  1925.96
                             1988.18  2012.63  2023.04  2046.77  2107.61
                             2121.22  2134.16  2138.88  2147.62  2162.03
                             2167.00  2172.50  2407.28  2535.24  4341.75
                             4357.37  4358.88  4382.23  4391.10  4406.67
                             4426.22  4433.36  4438.99  4442.75  4452.04
                             4453.71  4481.18  4523.29  4525.65  4533.01
 
 Zero-point correction=                           0.236791 (Hartree/Particle)
 Thermal correction to Energy=                    0.249346
 Thermal correction to Enthalpy=                  0.250290
 Thermal correction to Gibbs Free Energy=         0.197559
 Sum of electronic and zero-point Energies=           -465.874862
 Sum of electronic and thermal Energies=              -465.862307
 Sum of electronic and thermal Enthalpies=            -465.861363
 Sum of electronic and thermal Free Energies=         -465.914094
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.467             46.457            110.982
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.787
 Vibrational            154.689             40.495             39.227
 Vibration     1          0.594              1.983              5.694
 Vibration     2          0.597              1.972              4.346
 Vibration     3          0.600              1.964              3.924
 Vibration     4          0.608              1.937              3.174
 Vibration     5          0.613              1.919              2.886
 Vibration     6          0.620              1.895              2.588
 Vibration     7          0.648              1.809              1.950
 Vibration     8          0.660              1.770              1.763
 Vibration     9          0.670              1.741              1.642
 Vibration    10          0.684              1.699              1.494
 Vibration    11          0.705              1.637              1.315
 Vibration    12          0.723              1.586              1.190
 Vibration    13          0.739              1.543              1.098
 Vibration    14          0.776              1.444              0.918
 Vibration    15          0.802              1.379              0.821
 Vibration    16          0.869              1.219              0.624
 Vibration    17          0.943              1.062              0.475
 Vibration    18          0.953              1.042              0.458
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.134727D-90        -90.870544       -209.237160
 Total V=0       0.111078D+19         18.045629         41.551596
 Vib (Bot)       0.153028-104       -104.815230       -241.345986
 Vib (Bot)    1  0.644648D+01          0.809323          1.863535
 Vib (Bot)    2  0.325172D+01          0.512113          1.179185
 Vib (Bot)    3  0.261872D+01          0.418089          0.962685
 Vib (Bot)    4  0.177089D+01          0.248191          0.571482
 Vib (Bot)    5  0.151855D+01          0.181428          0.417753
 Vib (Bot)    6  0.129086D+01          0.110880          0.255311
 Vib (Bot)    7  0.894019D+00         -0.048653         -0.112028
 Vib (Bot)    8  0.796983D+00         -0.098551         -0.226921
 Vib (Bot)    9  0.737573D+00         -0.132195         -0.304390
 Vib (Bot)   10  0.668573D+00         -0.174851         -0.402610
 Vib (Bot)   11  0.589331D+00         -0.229641         -0.528768
 Vib (Bot)   12  0.537080D+00         -0.269961         -0.621607
 Vib (Bot)   13  0.499530D+00         -0.301439         -0.694088
 Vib (Bot)   14  0.428356D+00         -0.368195         -0.847801
 Vib (Bot)   15  0.390773D+00         -0.408075         -0.939628
 Vib (Bot)   16  0.315645D+00         -0.500801         -1.153136
 Vib (Bot)   17  0.258691D+00         -0.587219         -1.352122
 Vib (Bot)   18  0.252257D+00         -0.598157         -1.377308
 Vib (V=0)       0.126166D+05          4.100943          9.442771
 Vib (V=0)    1  0.696585D+01          0.842974          1.941019
 Vib (V=0)    2  0.378994D+01          0.578632          1.332350
 Vib (V=0)    3  0.316602D+01          0.500514          1.152476
 Vib (V=0)    4  0.234012D+01          0.369239          0.850203
 Vib (V=0)    5  0.209874D+01          0.321959          0.741339
 Vib (V=0)    6  0.188431D+01          0.275153          0.633564
 Vib (V=0)    7  0.152434D+01          0.183082          0.421561
 Vib (V=0)    8  0.144084D+01          0.158616          0.365227
 Vib (V=0)    9  0.139107D+01          0.143350          0.330077
 Vib (V=0)   10  0.133486D+01          0.125435          0.288826
 Vib (V=0)   11  0.127286D+01          0.104780          0.241265
 Vib (V=0)   12  0.123380D+01          0.091243          0.210095
 Vib (V=0)   13  0.120677D+01          0.081626          0.187951
 Vib (V=0)   14  0.115840D+01          0.063858          0.147039
 Vib (V=0)   15  0.113459D+01          0.054839          0.126271
 Vib (V=0)   16  0.109130D+01          0.037943          0.087367
 Vib (V=0)   17  0.106296D+01          0.026516          0.061055
 Vib (V=0)   18  0.106003D+01          0.025318          0.058297
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.119386D+07          6.076952         13.992699
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000003486    0.000001958   -0.000016473
      2        6           0.000010401   -0.000007725    0.000028096
      3        6           0.000014260   -0.000035651    0.000017460
      4        6          -0.000017283    0.000008939    0.000004838
      5        6           0.000012087    0.000001995   -0.000005767
      6        6          -0.000006241    0.000000059   -0.000008061
      7        8           0.000000154    0.000000351    0.000005262
      8        6          -0.000000530    0.000016057   -0.000015160
      9        6           0.000005681   -0.000000596   -0.000016399
     10        6          -0.000001360    0.000035210   -0.000013940
     11        6          -0.000003918    0.000002344   -0.000001519
     12        1          -0.000004948   -0.000003735    0.000004686
     13        1           0.000005182   -0.000002791    0.000002496
     14        1          -0.000009704    0.000003417   -0.000004845
     15        1          -0.000007296   -0.000005340    0.000005557
     16        1           0.000005564   -0.000002597    0.000003092
     17        1           0.000000698    0.000000579    0.000001088
     18        1           0.000000703   -0.000000834   -0.000000093
     19        1          -0.000001718    0.000000763    0.000002089
     20        1          -0.000001668   -0.000006512   -0.000001153
     21        1           0.000002785   -0.000003516   -0.000000233
     22        1          -0.000001286   -0.000003034    0.000001345
     23        1           0.000001222    0.000003928   -0.000000631
     24        1           0.000000197   -0.000003374    0.000002626
     25        1           0.000000049    0.000000284    0.000003150
     26        1          -0.000000404    0.000001126   -0.000000041
     27        1           0.000000859   -0.000001304    0.000002529
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000035651 RMS     0.000008976
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.173660D+03  0.588366D+01 -0.280634D+01
      2   0.588366D+01  0.110420D+03 -0.293126D+01
      3  -0.280634D+01 -0.293126D+01  0.114610D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.484916D+01 -0.744328D+01 -0.765296D+01
      2   0.330642D+02 -0.116267D+02 -0.611006D+01
      3  -0.259057D+02  0.410301D+02  0.155348D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.871180D+02  0.274836D+02 -0.148406D+01
      2  -0.711916D+02 -0.255097D+00  0.314736D+01
      3  -0.159264D+02 -0.272285D+02 -0.166330D+01
      4   0.356992D+02 -0.969583D+02 -0.340074D+02
      5  -0.263739D+02 -0.335591D+02 -0.106193D+02
      6  -0.152259D+02 -0.283518D+02  0.111428D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.364643D+01 -0.440273D+01 -0.430053D+01 -0.474062D+01 -0.166579D+01
      2  -0.440273D+01 -0.183527D+01  0.815272D+00 -0.166579D+01  0.167448D+01
      3  -0.430053D+01  0.815272D+00  0.147223D+01  0.111367D+01 -0.388847D+01
                 6             7             8             9            10 
      1   0.111367D+01 -0.313680D+01  0.115038D+01  0.143955D+01 -0.228717D+02
      2  -0.388847D+01  0.115038D+01 -0.316837D+01  0.550026D+00  0.661393D+01
      3   0.102553D+01  0.143955D+01  0.550026D+00  0.342049D+01  0.364946D+01
                11            12            13            14            15 
      1   0.661393D+01  0.364946D+01  0.110097D+02 -0.411159D+00 -0.140446D+01
      2   0.158921D+01 -0.622698D+00 -0.411159D+00  0.758290D+00  0.314539D+01
      3  -0.622698D+00 -0.172020D+01 -0.140446D+01  0.314539D+01 -0.177031D+00
                16            17            18            19            20 
      1   0.140443D+02 -0.170366D+01 -0.250390D+01  0.484250D+02  0.250652D+00
      2  -0.170366D+01  0.403327D+01  0.482815D+00  0.250652D+00  0.446521D+01
      3  -0.250390D+01  0.482815D+00 -0.492785D+01 -0.683885D+00  0.119647D+01
                21            22            23            24            25 
      1  -0.683885D+00 -0.408488D+01  0.902732D+01  0.295482D+01 -0.383711D+01
      2   0.119647D+01  0.902732D+01  0.129493D+01 -0.596162D+00  0.232194D+01
      3   0.559954D+00  0.295482D+01 -0.596162D+00 -0.287237D+01  0.955455D+00
                26            27            28            29            30 
      1   0.232194D+01  0.955455D+00 -0.664550D+02 -0.374134D+01  0.307017D+00
      2  -0.110811D+01 -0.243322D+01 -0.374134D+01 -0.369591D+01 -0.791364D+00
      3  -0.243322D+01  0.492447D+01  0.307017D+00 -0.791364D+00 -0.175580D+01
                31            32            33            34            35 
      1  -0.114685D+02 -0.641563D+01 -0.181324D+01  0.971282D+01 -0.281803D+00
      2  -0.641563D+01 -0.329727D+01 -0.369744D+00 -0.281803D+00  0.864481D+00
      3  -0.181324D+01 -0.369744D+00  0.141762D+01 -0.237768D+01  0.175530D+01
                36            37            38            39            40 
      1  -0.237768D+01  0.599111D+02  0.343662D+01  0.284497D+01  0.132280D+02
      2   0.175530D+01  0.343662D+01  0.203334D+01  0.896004D+00  0.518875D+01
      3  -0.315309D+01  0.284497D+01  0.896004D+00  0.131661D+01  0.125641D+01
                41            42            43            44            45 
      1   0.518875D+01  0.125641D+01 -0.126605D+02 -0.573594D+00  0.415747D+01
      2   0.275673D+01 -0.606941D+00 -0.573594D+00 -0.180980D+01 -0.189655D+01
      3  -0.606941D+00 -0.191026D+01  0.415747D+01 -0.189655D+01  0.231273D+01
                46            47            48            49            50 
      1  -0.192055D+02 -0.101966D+01 -0.316949D+01  0.553284D+01  0.526350D+00
      2  -0.101966D+01  0.123533D+01  0.269090D+00  0.526350D+00  0.682565D+00
      3  -0.316949D+01  0.269090D+00  0.563946D+00  0.328517D+01 -0.968409D+00
                51            52            53            54            55 
      1   0.328517D+01 -0.249544D+02  0.127216D+01 -0.891305D+01  0.547918D+01
      2  -0.968409D+00  0.127216D+01  0.548524D+00  0.100944D+01 -0.697435D+00
      3   0.160943D+01 -0.891305D+01  0.100944D+01 -0.587248D+01  0.275646D+01
                56            57            58            59            60 
      1  -0.697435D+00  0.275646D+01 -0.868946D+01  0.195220D+01 -0.304941D+01
      2   0.239361D+00 -0.527151D+00  0.195220D+01 -0.200449D+01  0.296494D+01
      3  -0.527151D+00  0.112896D+01 -0.304941D+01  0.296494D+01 -0.169610D+01
                61            62            63            64            65 
      1   0.253882D+02 -0.627897D+00  0.100917D+02  0.708811D+01 -0.552778D+01
      2  -0.627897D+00  0.123632D+01 -0.143146D+01 -0.552778D+01 -0.159370D+01
      3   0.100917D+02 -0.143146D+01  0.109631D+02 -0.196046D+01  0.102742D+01
                66            67            68            69            70 
      1  -0.196046D+01 -0.549174D+01 -0.123258D+01  0.125955D+01 -0.523724D+01
      2   0.102742D+01 -0.123258D+01 -0.277050D+00 -0.268043D+01  0.152534D+01
      3   0.127881D+01  0.125955D+01 -0.268043D+01  0.129071D+01  0.170707D+01
                71            72            73            74            75 
      1   0.152534D+01  0.170707D+01  0.493864D+00  0.100198D+01 -0.111774D+01
      2  -0.311410D+01  0.723519D-01  0.100198D+01 -0.421893D+01 -0.190345D+01
      3   0.723519D-01  0.654718D+01 -0.111774D+01 -0.190345D+01  0.296797D+01
                76            77            78            79            80 
      1   0.170718D+01 -0.460985D+01 -0.277692D+01 -0.215477D+01 -0.260177D+01
      2  -0.460985D+01 -0.286718D+01 -0.116517D+01 -0.260177D+01 -0.154596D+01
      3  -0.277692D+01 -0.116517D+01 -0.684896D+00  0.468978D+01 -0.164238D+00
                81            82            83            84            85 
      1   0.468978D+01 -0.919327D+01 -0.720056D+01 -0.116556D+01 -0.891962D+01
      2  -0.164238D+00 -0.720056D+01 -0.193100D+01  0.968749D+00 -0.400126D+01
      3   0.218880D+01 -0.116556D+01  0.968749D+00 -0.526068D+00  0.563709D+00
                86            87            88            89            90 
      1  -0.400126D+01  0.563709D+00  0.567061D+01  0.207444D+01 -0.267875D+00
      2   0.129237D+01  0.120022D+01  0.207444D+01  0.246538D+01  0.474200D+01
      3   0.120022D+01  0.331939D+01 -0.267875D+00  0.474200D+01 -0.480617D+00
                91            92            93            94            95 
      1  -0.129802D+01  0.159912D+01 -0.482341D+01  0.285584D+01 -0.196649D+00
      2   0.159912D+01  0.110621D+01 -0.110061D+01 -0.196649D+00 -0.425706D+01
      3  -0.482341D+01 -0.110061D+01 -0.103913D+01 -0.101531D+01  0.340861D+01
                96            97            98            99           100 
      1  -0.101531D+01 -0.797153D+01 -0.106815D+01 -0.320307D+01 -0.459838D+01
      2   0.340861D+01 -0.106815D+01  0.273152D+01  0.115622D+01 -0.221321D+00
      3   0.165185D+01 -0.320307D+01  0.115622D+01  0.404031D+01 -0.246256D+01
               101           102           103           104           105 
      1  -0.221321D+00 -0.246256D+01  0.738009D+00 -0.484794D+00  0.736369D+00
      2  -0.444430D+00  0.122417D+00 -0.484794D+00  0.459209D+00 -0.598499D+00
      3   0.122417D+00 -0.241227D+01  0.736369D+00 -0.598499D+00  0.704568D+00
               106           107           108           109           110 
      1  -0.431639D+01  0.232285D+00 -0.407607D+01 -0.746634D+01 -0.193083D+01
      2   0.232285D+00 -0.138437D+01 -0.125277D+00 -0.193083D+01 -0.106554D+01
      3  -0.407607D+01 -0.125277D+00 -0.510453D+01  0.250899D+01  0.769765D+00
               111           112           113           114           115 
      1   0.250899D+01 -0.166100D+01 -0.135633D+01  0.874679D+00  0.538159D+01
      2   0.769765D+00 -0.135633D+01 -0.108644D+01  0.799176D+00  0.155549D+01
      3  -0.210494D+01  0.874679D+00  0.799176D+00 -0.545484D+00 -0.350781D+01
               116           117           118           119           120 
      1   0.155549D+01 -0.350781D+01  0.380039D+00  0.431507D+00 -0.836275D+00
      2   0.160153D+01 -0.848907D+00  0.431507D+00 -0.257762D+00 -0.211787D+00
      3  -0.848907D+00  0.261470D+01 -0.836275D+00 -0.211787D+00  0.341343D+00
               121           122           123           124           125 
      1   0.159360D+01 -0.591305D+00 -0.680125D-01 -0.120685D+01 -0.294642D-01
      2  -0.591305D+00  0.566178D+00 -0.974191D+00 -0.294642D-01 -0.146403D+01
      3  -0.680125D-01 -0.974191D+00  0.144140D+01 -0.215234D+00  0.930679D+00
               126           127           128           129           130 
      1  -0.215234D+00  0.806138D+00 -0.879123D-01  0.630739D+00  0.228561D+00
      2   0.930679D+00 -0.879123D-01  0.121241D+01 -0.554433D+00  0.380201D+00
      3  -0.679594D+01  0.630739D+00 -0.554433D+00  0.623807D+00 -0.264890D+00
               131           132           133           134           135 
      1   0.380201D+00 -0.264890D+00  0.126184D+01 -0.260941D+00  0.159477D+00
      2  -0.417746D+01  0.172302D+01 -0.260941D+00  0.342868D+01 -0.274905D+01
      3   0.172302D+01 -0.188829D+01  0.159477D+00 -0.274905D+01  0.339136D+01
               136           137           138           139           140 
      1   0.132096D+01 -0.367405D+00 -0.563741D+00  0.106591D+01 -0.727176D+00
      2  -0.367405D+00  0.304872D+00 -0.273890D-01 -0.727176D+00 -0.647684D+01
      3  -0.563741D+00 -0.273890D-01  0.108197D+00 -0.457307D+00 -0.317320D+01
               141           142           143           144           145 
      1  -0.457307D+00 -0.236826D+01 -0.122670D+01 -0.687599D+00  0.465745D+00
      2  -0.317320D+01 -0.122670D+01 -0.538370D+01 -0.422988D+01 -0.340753D+00
      3  -0.253305D+01 -0.687599D+00 -0.422988D+01 -0.396840D+01  0.869911D+00
               146           147           148           149           150 
      1  -0.340753D+00  0.869911D+00 -0.673134D+00  0.600325D+00 -0.852578D-01
      2   0.640055D+00 -0.307941D+00  0.600325D+00 -0.412421D+01  0.238571D+01
      3  -0.307941D+00  0.466545D+00 -0.852578D-01  0.238571D+01 -0.346775D+01
               151           152           153           154           155 
      1   0.723721D+00 -0.256945D+00  0.102769D+00 -0.653188D+01  0.248182D+01
      2  -0.256945D+00  0.203022D+01 -0.183331D+01  0.248182D+01 -0.170115D+01
      3   0.102769D+00 -0.183331D+01  0.273404D+01  0.376310D+01 -0.145428D+01
               156           157           158           159           160 
      1   0.376310D+01  0.203781D+01 -0.146377D+01 -0.131233D+01  0.176841D+01
      2  -0.145428D+01 -0.146377D+01  0.155384D+01  0.163306D+01 -0.945668D+00
      3  -0.365694D+01 -0.131233D+01  0.163306D+01  0.153803D+01 -0.232153D+01
               161           162           163           164           165 
      1  -0.945668D+00 -0.232153D+01  0.344676D+01  0.194755D+01  0.130013D+01
      2   0.101786D+01  0.105440D+01  0.194755D+01  0.242504D+01  0.119341D+01
      3   0.105440D+01  0.257144D+01  0.130013D+01  0.119341D+01  0.207597D+01
               166           167           168           169           170 
      1   0.169011D+01  0.158485D+01  0.646914D+00  0.402810D+00  0.454404D+00
      2   0.158485D+01  0.289811D+01  0.182849D+01  0.454404D+00  0.963178D+00
      3   0.646914D+00  0.182849D+01  0.176441D+01  0.773590D+00  0.860956D+00
               171           172           173           174           175 
      1   0.773590D+00  0.236944D+01  0.223653D+01  0.402186D+00  0.178523D+01
      2   0.860956D+00  0.223653D+01  0.431264D+01 -0.168982D+00  0.171014D+01
      3   0.119777D+01  0.402186D+00 -0.168982D+00  0.888997D+00  0.329798D-01
               176           177           178           179           180 
      1   0.171014D+01  0.329798D-01  0.738092D+00 -0.381727D-01  0.244258D+00
      2   0.528966D+01  0.220328D+00 -0.381727D-01  0.115961D+01  0.765257D+00
      3   0.220328D+00  0.700114D+00  0.244258D+00  0.765257D+00 -0.233755D+00
               181           182           183           184           185 
      1  -0.748413D+01  0.451397D+01  0.116551D+01  0.194870D+01 -0.259896D+01
      2   0.451397D+01 -0.340023D+01 -0.543897D+00 -0.259896D+01  0.309693D+01
      3   0.116551D+01 -0.543897D+00 -0.145524D+01 -0.658779D+00  0.692828D+00
               186           187           188           189           190 
      1  -0.658779D+00  0.322754D+01 -0.163029D+01 -0.141275D+01 -0.123731D+01
      2   0.692828D+00 -0.163029D+01  0.206187D+01  0.859899D+00  0.753402D+00
      3   0.493849D+00 -0.141275D+01  0.859899D+00  0.557845D+00 -0.914193D+00
               191           192           193           194           195 
      1   0.753402D+00 -0.914193D+00  0.230195D+00  0.483773D-01 -0.171179D+00
      2  -0.866571D-01  0.628023D-01  0.483773D-01 -0.160608D+00 -0.565410D+00
      3   0.628023D-01 -0.101091D+01 -0.171179D+00 -0.565410D+00 -0.562510D+00
               196           197           198           199           200 
      1  -0.136922D+01  0.443653D+00 -0.190088D+01 -0.182432D+01 -0.488882D+00
      2   0.443653D+00 -0.167238D+01  0.122510D+01 -0.488882D+00  0.956485D-02
      3  -0.190088D+01  0.122510D+01 -0.813215D+01  0.869929D+00 -0.789550D-01
               201           202           203           204           205 
      1   0.869929D+00 -0.131593D+01  0.928086D+00  0.349410D+00  0.203767D+01
      2  -0.789550D-01  0.928086D+00 -0.794885D+00  0.115371D+01  0.528201D+00
      3   0.931074D-02  0.349410D+00  0.115371D+01 -0.125964D+01 -0.465566D+00
               206           207           208           209           210 
      1   0.528201D+00 -0.465566D+00  0.141139D+01  0.671655D+00 -0.116641D+01
      2   0.135600D+01 -0.126362D+01  0.671655D+00  0.661151D-01 -0.660006D-01
      3  -0.126362D+01  0.468823D+01 -0.116641D+01 -0.660006D-01 -0.242535D+00
               211           212           213           214           215 
      1   0.987687D+00 -0.258775D+00 -0.733815D+00 -0.181925D+01 -0.564543D+00
      2  -0.258775D+00  0.590211D+00 -0.912133D+00 -0.564543D+00 -0.127234D+01
      3  -0.733815D+00 -0.912133D+00  0.189524D+01  0.883263D+00  0.178535D+01
               216           217           218           219           220 
      1   0.883263D+00  0.256451D+01 -0.718656D+00 -0.534026D+00 -0.234740D+01
      2   0.178535D+01 -0.718656D+00  0.216563D+00  0.473352D+00  0.105994D+01
      3  -0.627383D+01 -0.534026D+00  0.473352D+00  0.740139D+00  0.145198D+01
               221           222           223           224           225 
      1   0.105994D+01  0.145198D+01 -0.353773D+01  0.276953D+00  0.324607D+01
      2  -0.137536D+01 -0.211867D+01  0.276953D+00 -0.221162D+01 -0.167813D+01
      3  -0.211867D+01 -0.292711D+01  0.324607D+01 -0.167813D+01 -0.658884D+01
               226           227           228           229           230 
      1   0.940657D+01  0.259707D+00  0.220531D+01 -0.642301D+00  0.108974D+01
      2   0.259707D+00  0.105824D+01  0.153466D+00  0.108974D+01  0.335690D+00
      3   0.220531D+01  0.153466D+00  0.166276D+01  0.981927D-01  0.816024D-01
               231           232           233           234           235 
      1   0.981927D-01  0.528117D+01  0.408070D+00  0.208675D+01  0.950466D+00
      2   0.816024D-01  0.408070D+00  0.663266D+00 -0.491065D-01  0.546821D+00
      3  -0.273534D+00  0.208675D+01 -0.491065D-01  0.153828D+01  0.424571D+00
               236           237           238           239           240 
      1   0.546821D+00  0.424571D+00  0.339513D+01  0.191778D+01 -0.812957D+00
      2  -0.683588D+00  0.410723D+00  0.191778D+01  0.764966D+01 -0.261966D+01
      3   0.410723D+00 -0.281505D+00 -0.812957D+00 -0.261966D+01  0.194589D+01
               241           242           243 
      1  -0.106862D+01 -0.433715D+00  0.131585D+01
      2  -0.433715D+00 -0.202695D+01  0.145295D+01
      3   0.131585D+01  0.145295D+01 -0.215924D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.585117D+01 -0.458169D+01  0.974736D+00 -0.385025D+01  0.692386D+01
      2   0.656896D+01  0.793622D+01  0.880478D+01  0.643187D+01  0.121297D+02
      3  -0.825366D+01 -0.915881D+01 -0.173532D+01 -0.447926D+01  0.134071D+01
                 6             7             8             9            10 
      1  -0.129008D+02 -0.131295D+00 -0.606935D+01  0.462565D+00 -0.212471D+01
      2  -0.413478D+01  0.154640D+01 -0.239496D+01 -0.881213D+01 -0.202022D+02
      3  -0.643156D+01 -0.279295D+00 -0.577364D+01  0.193018D+01  0.162811D+02
                11            12            13            14            15 
      1   0.250801D+01  0.960793D+00  0.428498D+01 -0.500510D+01 -0.346531D+01
      2   0.147266D+01  0.762496D+01  0.342325D+01 -0.100216D+02 -0.344932D+00
      3   0.496585D+01  0.238897D+01  0.149802D+02  0.607865D+01  0.702126D+01
                16            17            18            19            20 
      1   0.233343D+01  0.667822D+01  0.359931D+01 -0.214814D+00 -0.180018D+01
      2   0.819781D+01 -0.100541D+01  0.109821D+02  0.270630D+02  0.110501D+01
      3  -0.437778D+01  0.742946D+01 -0.225121D+00 -0.222319D+02 -0.646580D+01
                21            22            23            24            25 
      1  -0.111233D+01 -0.775755D+01 -0.282857D+01 -0.264857D+01 -0.297680D+01
      2   0.225495D+01 -0.210920D+01  0.645852D+01  0.487484D+01 -0.149899D+02
      3  -0.593585D+00  0.166621D+01 -0.712638D+01 -0.188137D+01 -0.313573D-01
                26            27            28            29            30 
      1   0.200588D+01  0.483515D+01  0.410327D+01 -0.181646D-01  0.961374D-01
      2   0.320484D+01 -0.329751D+01 -0.370197D+02 -0.405235D+01 -0.410023D+01
      3  -0.313842D+01 -0.177332D+01  0.194942D+02  0.770930D+01  0.123742D+01
                31            32            33            34            35 
      1   0.371713D+01  0.250637D+01 -0.259824D+01  0.224526D+01  0.458767D-01
      2  -0.128270D+02 -0.381168D+01 -0.121740D+01 -0.139383D+02 -0.161493D+01
      3   0.353643D+02  0.705449D+01 -0.103918D+00  0.247285D+01  0.909322D+00
                36            37            38            39            40 
      1  -0.410228D+01 -0.273435D+01 -0.114983D+01 -0.724844D+00 -0.811076D+01
      2  -0.119701D+01  0.438909D+02  0.336221D+01  0.128043D+02  0.139058D+02
      3   0.383949D-01 -0.161435D+02 -0.115005D+02 -0.159937D+01 -0.891851D+01
                41            42            43            44            45 
      1  -0.502553D+00 -0.497100D+01  0.166423D+01  0.127808D+00 -0.894213D+00
      2   0.298773D+01 -0.144017D+01 -0.133869D+02 -0.380596D+01  0.556158D+01
      3  -0.637732D+01  0.800672D+00 -0.347810D+00 -0.505605D+00  0.130891D+01
                46            47            48            49            50 
      1   0.768513D-02  0.199516D+01  0.257407D+01 -0.543728D+01  0.411520D+01
      2  -0.108611D+02 -0.243925D+01 -0.533371D+01  0.664115D+01 -0.280460D+01
      3   0.125448D+01  0.121048D+02  0.437185D+01  0.248447D+02  0.126453D+01
                51            52            53            54            55 
      1  -0.714358D+01  0.236076D+01 -0.366186D+01 -0.273200D+01  0.131210D+01
      2   0.666810D+01 -0.503337D+02  0.895521D+00 -0.278413D+02  0.198385D+01
      3   0.232650D+01  0.471916D+01  0.793433D+01 -0.195899D+01  0.675500D-01
                56            57            58            59            60 
      1  -0.369907D+00 -0.581133D+00 -0.131418D+00 -0.292652D+01 -0.159652D+01
      2  -0.150121D+01  0.798505D+01 -0.935020D+01  0.900269D+01 -0.875400D+01
      3  -0.749694D+01  0.292400D+00 -0.713111D+01  0.660729D+01 -0.812447D+01
                61            62            63            64            65 
      1  -0.146405D+01  0.877293D+01  0.674026D+00  0.839105D+01 -0.173461D+01
      2   0.303615D+02 -0.464260D+01  0.440299D+02  0.884304D+01 -0.670227D+01
      3  -0.424413D+01 -0.120407D+02  0.338589D+01 -0.101401D+02 -0.203365D+02
                66            67            68            69            70 
      1  -0.398497D+01 -0.180433D+01  0.746408D+01 -0.167986D+01 -0.691711D+01
      2  -0.238247D+01 -0.597615D+01  0.556368D+01 -0.211246D+01 -0.938540D+01
      3  -0.169262D+01 -0.102205D+02 -0.560155D+01 -0.458581D+01  0.249112D+00
                71            72            73            74            75 
      1   0.469629D+01 -0.155927D+02 -0.459042D+00 -0.159035D+01  0.348205D+01
      2   0.944695D+00 -0.154062D+02  0.458322D+01  0.822861D+01 -0.994716D+01
      3  -0.489955D+01  0.364460D+01  0.610979D+01 -0.221675D+02 -0.785104D+01
                76            77            78            79            80 
      1  -0.169199D+01 -0.472716D+00 -0.228974D+01  0.528066D+01  0.192594D+01
      2   0.108637D+02  0.279733D+01  0.626821D+00 -0.229418D+02 -0.177940D+01
      3  -0.152086D+02 -0.472650D+01 -0.245474D+01 -0.876514D+01 -0.181579D+01
                81            82            83            84            85 
      1   0.211396D+01  0.216462D+01  0.455389D+01 -0.195578D+01  0.594553D+01
      2  -0.566658D+01 -0.532767D+01 -0.690943D+01  0.198451D+01 -0.894229D+01
      3  -0.478197D+01 -0.668062D+01  0.873016D+01  0.303320D+01  0.202473D+02
                86            87            88            89            90 
      1   0.442015D+01  0.645795D+01 -0.266151D+01  0.153553D+02 -0.323069D+01
      2  -0.478164D+01 -0.499153D+01  0.418743D+00 -0.638276D+01  0.133846D+01
      3   0.805874D+01  0.307360D-01  0.318219D+01  0.922197D-01  0.984529D+01
                91            92            93            94            95 
      1   0.482444D+00 -0.230310D+01  0.105549D+01  0.587127D+01  0.289818D+01
      2  -0.198563D+02 -0.277353D+01 -0.435126D+01 -0.340547D+01  0.148334D+02
      3  -0.782281D+01 -0.107198D+02  0.246456D+01  0.117084D+02  0.204007D+02
                96            97            98            99           100 
      1  -0.811237D+01  0.473283D+01 -0.982738D+00 -0.408589D+01 -0.193920D+01
      2   0.800189D+01 -0.231154D+02  0.391475D+01  0.149384D+02  0.533365D+01
      3  -0.194466D+02  0.428909D+01 -0.108869D+02 -0.760703D+01  0.327021D+01
               101           102           103           104           105 
      1   0.118368D+01 -0.209570D+01  0.511792D+00 -0.115464D+01 -0.799403D-01
      2  -0.863828D+00  0.913233D+01 -0.214875D+01  0.185468D+01 -0.224134D+01
      3  -0.260942D+01  0.274578D+01 -0.705465D-01  0.272969D+01 -0.244154D+01
               106           107           108           109           110 
      1  -0.341068D+01  0.305091D+01 -0.426329D+01  0.274864D+01 -0.200457D+00
      2   0.946727D+01  0.144477D+00  0.165503D+02 -0.968037D+01 -0.308655D+01
      3   0.477097D+01 -0.623897D+01  0.326977D+01  0.117266D+01 -0.459799D+01
               111           112           113           114           115 
      1  -0.268800D+01  0.158320D+01  0.530629D+00 -0.161570D+01 -0.311389D+01
      2   0.104556D+02 -0.363135D+01 -0.317759D+01  0.266442D+01  0.112548D+02
      3   0.250178D+00 -0.250279D+00 -0.269984D+01  0.184964D+01  0.451211D+00
               116           117           118           119           120 
      1   0.912688D+00  0.315674D+01 -0.845624D+00 -0.412770D-01  0.200743D+00
      2   0.283971D+01 -0.114849D+02  0.292667D+01  0.465844D+00  0.626225D+00
      3   0.588432D+01  0.515972D+00  0.298540D+00 -0.994343D+00  0.458391D+00
               121           122           123           124           125 
      1  -0.129898D+01 -0.160102D+01  0.227174D+00 -0.543825D+00  0.440573D+01
      2   0.111796D+01  0.121687D+00 -0.169744D+01 -0.408503D+01 -0.804823D+00
      3   0.237165D+01  0.423948D+00 -0.483960D+00  0.706002D+00 -0.104606D+01
               126           127           128           129           130 
      1  -0.354809D+01  0.210313D+01 -0.138536D+01  0.226862D+01 -0.110988D+01
      2   0.649297D+01 -0.111164D+01  0.114806D+01 -0.635271D-01  0.158092D+01
      3   0.103411D+01 -0.236658D+01  0.907887D+00 -0.259985D+01  0.226305D+01
               131           132           133           134           135 
      1   0.458915D+01 -0.669213D+01  0.816240D+00 -0.561777D+01  0.110366D+02
      2  -0.276747D+01  0.293581D+01 -0.185595D+01  0.458897D+01 -0.555030D+01
      3  -0.825716D+01  0.385390D+01 -0.478400D+01  0.669075D+01 -0.606113D+01
               136           137           138           139           140 
      1  -0.146284D+01 -0.564490D+00  0.314259D+00 -0.528074D+00 -0.221962D+01
      2   0.175673D+01  0.624040D-01  0.450081D+00 -0.215667D-01  0.506690D+01
      3  -0.142742D+01  0.804457D-01  0.102515D+01  0.199277D+01 -0.111485D+02
               141           142           143           144           145 
      1  -0.640667D+01  0.101712D+00 -0.416490D+01 -0.773917D+01 -0.144553D+01
      2   0.441064D+01 -0.246104D+01  0.650762D+01  0.639591D+01 -0.408031D+01
      3  -0.515833D+01  0.283170D+01 -0.825905D+01 -0.720247D+01 -0.745846D+00
               146           147           148           149           150 
      1   0.237313D+01 -0.593253D+00  0.204192D+01 -0.127896D+02  0.414085D+01
      2   0.167237D+01 -0.163797D+01  0.371769D+01 -0.665987D+01  0.711532D+01
      3   0.441112D+00  0.368173D-02  0.282267D+01 -0.671312D+01  0.386625D+01
               151           152           153           154           155 
      1  -0.626902D+00  0.694178D+01 -0.455518D+01  0.204008D+01 -0.338459D+01
      2  -0.333979D+01  0.442204D+01 -0.554358D+01  0.469185D+01 -0.135511D+01
      3  -0.666324D+00  0.312144D+01 -0.312416D+01  0.475888D+00 -0.407605D+01
               156           157           158           159           160 
      1   0.862153D+00 -0.169870D+01  0.195499D+01  0.454249D+00 -0.648712D+00
      2   0.395478D+01 -0.274399D+01 -0.119249D+01 -0.158906D+01 -0.247727D+01
      3  -0.718718D+00 -0.363223D+00  0.295309D+01  0.241410D+01  0.449562D+00
               161           162           163           164           165 
      1   0.289537D+01 -0.315994D+00  0.273100D+01  0.474963D+01 -0.668358D+00
      2  -0.428533D-01 -0.146649D+01 -0.125694D+02 -0.705536D+01 -0.517329D+01
      3   0.217023D+01  0.470101D+00  0.874956D+01  0.478218D+01  0.332747D+01
               166           167           168           169           170 
      1   0.271588D+01  0.432231D+01  0.131123D-01  0.341565D+00  0.271294D+01
      2  -0.670760D+01 -0.753777D+01 -0.386743D+01 -0.444313D+01 -0.293478D+01
      3   0.663532D+01  0.598726D+01  0.410398D+01  0.141504D+01  0.177533D+01
               171           172           173           174           175 
      1   0.609782D+00 -0.240792D+01 -0.188964D+01 -0.338726D+01 -0.136916D+01
      2  -0.378529D+01  0.116981D+01  0.189447D+01 -0.579551D-01  0.141561D+01
      3   0.263741D+01  0.149696D+02  0.147192D+02  0.752932D+00  0.111113D+02
               176           177           178           179           180 
      1  -0.360405D+01 -0.373219D+01 -0.670904D+00 -0.742143D+00  0.153804D-01
      2   0.110741D+01 -0.593855D+00 -0.105502D+01 -0.162539D+01  0.749291D+00
      3   0.174140D+02  0.632535D+00  0.165922D+01  0.265504D+01  0.259812D+01
               181           182           183           184           185 
      1  -0.512181D+01  0.284275D+01  0.492372D+01  0.314521D+01 -0.324032D+01
      2  -0.659918D+01  0.374427D+01  0.706141D+01  0.298222D+01 -0.334651D+01
      3  -0.310095D+01 -0.316246D+01  0.131792D+01  0.230323D+01  0.410564D+01
               186           187           188           189           190 
      1  -0.300815D+01  0.348171D+01 -0.128161D+01 -0.196494D+01  0.123944D+01
      2  -0.277102D+01  0.421184D+01 -0.259598D+01 -0.277177D+01  0.132547D+01
      3   0.526244D+00  0.578958D+00  0.345175D+01 -0.458225D+00  0.526657D+00
               191           192           193           194           195 
      1   0.211600D+00  0.229020D+01 -0.104384D+00  0.196377D+01  0.394493D+00
      2   0.210645D+00  0.266620D+01  0.198171D+00  0.142511D+01  0.133243D+01
      3   0.231067D+00 -0.135177D+01  0.103947D+01 -0.476951D+00 -0.139499D+01
               196           197           198           199           200 
      1   0.348316D+01  0.269954D+01  0.170138D+02 -0.568937D-01  0.473403D+00
      2   0.447704D+00 -0.240539D+01  0.188681D+02 -0.164228D+00 -0.468247D+00
      3  -0.198771D+01 -0.407407D+01  0.566478D+00  0.150699D+01 -0.133170D+00
               201           202           203           204           205 
      1  -0.170743D+00  0.526566D+01  0.295318D-01 -0.155293D+01  0.956417D+00
      2  -0.482107D+00  0.171052D+01  0.173041D+01 -0.265654D-01 -0.407727D+01
      3  -0.552812D+00  0.103358D+01  0.457804D+00 -0.877668D+00 -0.252603D+01
               206           207           208           209           210 
      1   0.260347D+01  0.392075D+01 -0.165414D+01  0.372565D-01  0.333974D-01
      2   0.659127D+00  0.332475D+01 -0.130057D+01  0.416571D+00 -0.746915D+00
      3  -0.146455D+01  0.347887D+00 -0.297038D+01 -0.747413D+00  0.460080D-01
               211           212           213           214           215 
      1   0.627536D+01 -0.578820D+00 -0.949284D-01  0.220030D+01  0.446201D+01
      2  -0.145550D+01 -0.195886D+01  0.300876D+01 -0.320842D+01  0.281560D+01
      3   0.951150D+01 -0.183480D+00  0.198053D+01  0.325462D+01  0.317628D+01
               216           217           218           219           220 
      1  -0.253020D+00  0.301088D+00 -0.559770D+00 -0.804154D+00 -0.227785D+01
      2  -0.103597D+02  0.140515D+00  0.134971D+01  0.381920D+01  0.429074D+01
      3  -0.350031D+01  0.156897D+01 -0.258973D+01 -0.194428D+01 -0.710135D+01
               221           222           223           224           225 
      1   0.284700D+01  0.255083D+01 -0.268948D+01  0.449330D+01  0.498251D+01
      2  -0.832385D+01 -0.121821D+02  0.910740D+01 -0.720879D+01 -0.260372D+02
      3   0.629515D+01  0.107184D+02 -0.434512D+01  0.959795D+01  0.103056D+02
               226           227           228           229           230 
      1  -0.153310D+01 -0.736950D-01 -0.110399D+01 -0.835880D+00 -0.335038D+00
      2   0.159956D+02  0.779160D+00  0.114863D+02  0.289745D+00  0.725819D+00
      3   0.298294D+01 -0.660995D+01  0.603686D+00 -0.273468D+01 -0.821146D+00
               231           232           233           234           235 
      1  -0.499979D+00 -0.117889D+01  0.869257D+00 -0.692231D+00  0.226587D+00
      2  -0.108097D+01  0.988264D+01 -0.229295D+00  0.893998D+01  0.109397D+01
      3  -0.453708D+00  0.457566D+00 -0.362315D+01  0.106716D+01  0.212148D+00
               236           237           238           239           240 
      1   0.718599D+00 -0.165851D+00 -0.194600D+01 -0.583857D+01 -0.459726D+00
      2   0.189084D+01  0.475556D+00  0.749766D+00 -0.942118D+01  0.740605D+01
      3   0.347690D+01 -0.221197D+01 -0.657197D+01 -0.340961D+02  0.123105D+02
               241           242           243 
      1  -0.218466D-01  0.208257D+01  0.807961D-01
      2   0.335239D+01  0.559244D+01 -0.754835D+01
      3   0.867431D+00  0.887802D+01 -0.627313D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.885845D+00  0.187765D+02  0.179482D+02  0.167305D+02  0.124442D+02
      2   0.230219D+01 -0.154102D+02 -0.129549D+02 -0.139273D+02  0.466392D+01
      3  -0.318804D+01 -0.336628D+01 -0.499330D+01 -0.280315D+01 -0.171081D+02
      4   0.201843D+02 -0.264638D+01 -0.119476D+02 -0.826378D+00 -0.101586D+02
      5   0.255432D+02 -0.176816D+02 -0.194629D+02 -0.190075D+02  0.105071D+02
      6  -0.179835D+02 -0.491758D+01  0.522368D+01 -0.304965D+01  0.163776D+01
                 6             7             8             9            10 
      1  -0.516683D+01  0.126234D+02 -0.550426D+01 -0.149310D+02 -0.201737D+02
      2  -0.315182D+01 -0.818284D+01 -0.382778D+01 -0.213758D+01  0.221667D+02
      3   0.831865D+01 -0.444056D+01  0.933204D+01  0.170686D+02 -0.199304D+01
      4   0.150586D+02 -0.119183D+02  0.129120D+02  0.779945D+00 -0.362949D+02
      5  -0.950630D+00 -0.177147D+02  0.857424D+00 -0.829520D+01 -0.128460D+02
      6  -0.120637D+02  0.481063D+01 -0.111530D+02  0.820626D+01  0.610184D+01
                11            12            13            14            15 
      1  -0.217626D+02 -0.784872D+01 -0.275918D+02 -0.247946D+02 -0.504722D+01
      2   0.142647D+02  0.381151D+01  0.175058D+02  0.782588D+01  0.725356D+01
      3   0.749797D+01  0.403720D+01  0.100860D+02  0.169687D+02 -0.220635D+01
      4  -0.288075D+00  0.471583D+01 -0.328815D+01 -0.325981D+01 -0.160171D+02
      5   0.325614D+01  0.103577D+02  0.526271D+01 -0.138378D+02  0.208654D+01
      6  -0.434084D+01 -0.102102D+01 -0.255050D+01  0.128934D+02  0.684350D-01
                16            17            18            19            20 
      1   0.753441D+00 -0.351209D+01  0.127862D+02  0.644709D+02  0.963690D+01
      2  -0.937416D+01  0.990407D+01 -0.479778D+01 -0.641804D+02 -0.119356D+02
      3   0.862072D+01 -0.639198D+01 -0.798844D+01 -0.290516D+00  0.229867D+01
      4   0.828235D+01 -0.198987D+02 -0.193847D+01  0.571647D+01 -0.167671D+02
      5   0.113893D+02 -0.518871D+00  0.210321D+02 -0.768231D+01 -0.418889D+01
      6  -0.284321D+01 -0.161883D+01 -0.101229D+02 -0.138024D+02 -0.402471D+01
                21            22            23            24            25 
      1   0.289178D+01  0.114188D+02  0.979521D+01 -0.141193D+01  0.253245D+01
      2  -0.445792D+01 -0.155686D+02 -0.115649D+02 -0.349757D+01  0.121897D+01
      3   0.156614D+01  0.414983D+01  0.176971D+01  0.490950D+01 -0.375142D+01
      4  -0.406926D+01 -0.317030D+02 -0.514451D+01  0.398102D+01 -0.851229D+01
      5   0.397943D+00 -0.865601D+01  0.277870D+00  0.621537D+01 -0.291179D+01
      6  -0.921252D+00 -0.748674D+01 -0.397681D+01  0.141081D+01 -0.121777D+01
                26            27            28            29            30 
      1  -0.202368D+01  0.741669D+01 -0.132267D+03 -0.631545D+01 -0.521603D+01
      2  -0.410289D+01  0.112088D+02  0.977912D+02  0.481062D+01  0.287419D+01
      3   0.612657D+01 -0.186254D+02  0.344762D+02  0.150483D+01  0.234184D+01
      4   0.721172D+01  0.509183D+01  0.309220D+01 -0.107562D+02 -0.182549D+01
      5   0.354978D+01 -0.745058D+01  0.626480D+01 -0.165580D+01 -0.116718D+02
      6   0.439535D+01  0.255887D+01  0.169840D+02  0.568527D+01  0.183974D+01
                31            32            33            34            35 
      1  -0.320576D+02 -0.267158D+02 -0.822759D+01  0.293486D+02 -0.405922D+01
      2   0.279069D+02  0.250185D+02  0.456523D+01 -0.170179D+02  0.443575D+01
      3   0.415076D+01  0.169733D+01  0.366236D+01 -0.123307D+02 -0.376530D+00
      4  -0.871453D+01 -0.886942D+01 -0.229339D+01 -0.130284D+01  0.191057D-01
      5  -0.551429D+00 -0.709196D+00 -0.294914D+01  0.114368D+01  0.175333D+01
      6   0.261971D+01  0.699623D+01  0.471288D+01 -0.559047D+00 -0.953949D+00
                36            37            38            39            40 
      1  -0.398208D+01  0.157920D+03  0.109777D+02  0.957961D+01  0.345675D+02
      2  -0.160413D+01 -0.112027D+03 -0.682895D+01 -0.627011D+01 -0.181553D+02
      3   0.558621D+01 -0.458933D+02 -0.414878D+01 -0.330950D+01 -0.164121D+02
      4   0.228094D+01 -0.499873D+01  0.176834D+02  0.122958D+01  0.304371D+02
      5  -0.136530D+01  0.114566D+02  0.271858D+01  0.205574D+02  0.540411D+01
      6   0.533865D+01 -0.183564D+02 -0.528040D+01 -0.329212D+01 -0.115865D+02
                41            42            43            44            45 
      1   0.265986D+01 -0.321059D+01 -0.335081D+02 -0.942006D+01  0.130165D+02
      2   0.415555D+01 -0.285194D+01  0.214474D+02  0.382547D+01 -0.206784D+01
      3  -0.681541D+01  0.606253D+01  0.120607D+02  0.559459D+01 -0.109487D+02
      4   0.706438D+01 -0.306517D+01  0.180465D+01 -0.399722D+01 -0.703851D+01
      5  -0.255287D+01 -0.462601D+01  0.275837D+02 -0.483774D+01  0.698577D+01
      6  -0.952640D+00  0.470282D+01 -0.223692D+01  0.382326D+01  0.637365D+01
                46            47            48            49            50 
      1  -0.667081D+02 -0.582242D+01  0.915774D+01  0.195686D+01 -0.326440D+01
      2   0.483926D+02 -0.167129D+01 -0.194906D+01 -0.686675D+01  0.653337D+01
      3   0.183154D+02  0.749371D+01 -0.720868D+01  0.490990D+01 -0.326897D+01
      4  -0.659805D+01 -0.169523D+02  0.563489D+01 -0.107578D-01  0.241251D+01
      5  -0.231556D+01  0.264371D+01 -0.178837D+02  0.265333D+02 -0.590575D+01
      6   0.132378D+02  0.150634D+01 -0.715042D+00 -0.247563D+01  0.506974D+01
                51            52            53            54            55 
      1   0.987032D+01 -0.432384D+02  0.564928D+01 -0.180750D+02  0.313150D+02
      2  -0.110577D+02  0.427136D+02  0.487332D+00  0.217100D+02 -0.185748D+02
      3   0.118743D+01  0.524782D+00 -0.613662D+01 -0.363496D+01 -0.127402D+02
      4  -0.753668D+01  0.276476D+02 -0.590739D+01  0.103820D+02 -0.772841D+01
      5   0.780860D+01 -0.625744D+02  0.547793D+01 -0.441425D+02  0.210459D+02
      6   0.338769D+01  0.132531D+02 -0.644031D+01  0.777551D+01 -0.241251D+01
                56            57            58            59            60 
      1  -0.340854D+01  0.112992D+02 -0.246296D+02 -0.241907D+00 -0.337107D+01
      2   0.291003D+01 -0.771361D+01  0.155511D+02  0.107147D+01  0.351161D+01
      3   0.498512D+00 -0.358556D+01  0.907849D+01 -0.829564D+00 -0.140536D+00
      4   0.128614D+02 -0.541439D+01  0.232993D+02 -0.159824D+02  0.212638D+02
      5  -0.447559D+01  0.216265D+02 -0.195023D+02  0.206296D+02 -0.123976D+02
      6   0.192576D+01 -0.140142D+01  0.110086D+02 -0.892337D+01  0.134243D+02
                61            62            63            64            65 
      1   0.706495D+02  0.295029D+01  0.331733D+01 -0.235796D+01  0.364707D+02
      2  -0.555341D+02 -0.229726D+01 -0.322803D+02 -0.197451D+02 -0.254657D+02
      3  -0.151154D+02 -0.653036D+00  0.289630D+02  0.221031D+02 -0.110050D+02
      4  -0.154277D+02  0.167143D+02 -0.155385D+02  0.359664D+02 -0.186023D+02
      5   0.692683D+02 -0.985868D+01  0.767650D+02  0.876009D+01 -0.290151D+01
      6  -0.119007D+02  0.148567D+02 -0.985468D+01 -0.791440D+01  0.679670D+01
                66            67            68            69            70 
      1   0.106145D+02  0.320902D+02  0.394975D+01  0.143173D+00  0.104197D+02
      2  -0.286602D+00 -0.204698D+02 -0.360058D+01 -0.738424D+01  0.545369D+01
      3  -0.103279D+02 -0.116205D+02 -0.349171D+00  0.724107D+01 -0.158734D+02
      4  -0.127159D+02 -0.138767D+02 -0.791988D+01  0.153098D+02 -0.184236D+02
      5  -0.460809D+01 -0.403631D+01  0.150437D+02 -0.646884D+01 -0.644442D+01
      6   0.414440D+01  0.814881D+01 -0.135513D+02  0.541611D+01  0.552439D+01
                71            72            73            74            75 
      1  -0.239657D+01 -0.376524D+01 -0.833167D+01 -0.114456D+02  0.318587D+01
      2  -0.957925D+01  0.171057D+02  0.581488D+01  0.936926D+01  0.502563D+01
      3   0.119758D+02 -0.133405D+02  0.251679D+01  0.207637D+01 -0.821150D+01
      4   0.181690D+02  0.364808D+01 -0.841752D+01  0.120905D+02  0.112694D+02
      5  -0.859919D+00 -0.335931D+02  0.108225D+02  0.108646D+02 -0.256090D+02
      6   0.563545D+01  0.187792D+02  0.305799D+01  0.825268D+01 -0.262073D+01
                76            77            78            79            80 
      1  -0.135629D+02  0.326174D+02  0.184862D+02  0.110754D+02  0.189494D+02
      2   0.110367D+02 -0.155956D+02 -0.990707D+01  0.298710D+01 -0.112558D+02
      3   0.252625D+01 -0.170217D+02 -0.857917D+01 -0.140625D+02 -0.769359D+01
      4   0.242965D+02  0.203638D+02  0.927967D+01  0.208844D+02  0.128493D+02
      5   0.183941D+02  0.708709D+01  0.266507D+01 -0.387336D+02 -0.491301D+00
      6   0.682517D+01  0.136599D+01  0.316641D+00 -0.555919D+01  0.205382D+01
                81            82            83            84            85 
      1  -0.321614D+02 -0.406563D+02  0.683089D+01  0.570755D+01  0.120583D+02
      2   0.240021D+02  0.440709D+02  0.502506D+01 -0.641050D+01  0.280952D+01
      3   0.815935D+01 -0.341463D+01 -0.118559D+02  0.702948D+00 -0.148678D+02
      4  -0.501800D+01  0.236012D+02  0.187371D+02 -0.952912D+00  0.242719D+02
      5  -0.157140D+02  0.550479D+01  0.606867D+00  0.196974D+01 -0.753650D+00
      6   0.227441D+01  0.112063D+02 -0.240666D+01  0.254674D+01 -0.116724D+01
                86            87            88            89            90 
      1   0.723641D+01 -0.107987D+01  0.197551D+02  0.381374D+01  0.235516D+02
      2  -0.839071D+00  0.172599D+01 -0.199815D+02 -0.353581D+01 -0.257634D+02
      3  -0.639734D+01 -0.646115D+00  0.226340D+00 -0.277931D+00  0.221182D+01
      4   0.182255D+00 -0.745605D+01 -0.634522D+01 -0.127581D+02 -0.121096D+02
      5  -0.302084D+01 -0.103018D+02  0.276305D+01 -0.153572D+02  0.215251D+01
      6  -0.964445D+01 -0.193759D+02 -0.187018D+01 -0.301335D+02 -0.472944D+01
                91            92            93            94            95 
      1  -0.175310D+02  0.883116D+01 -0.409952D+02  0.199858D+02  0.134066D+02
      2   0.717640D+01 -0.214736D+01  0.195053D+02 -0.159626D+02 -0.119592D+02
      3   0.103546D+02 -0.668380D+01  0.214899D+02 -0.402326D+01 -0.144738D+01
      4   0.148317D+02  0.143416D+02 -0.114061D+02 -0.245854D+01 -0.314029D+02
      5  -0.471325D+02 -0.105613D+02 -0.123893D+01 -0.131239D+02  0.252092D+02
      6  -0.682242D+01 -0.455983D+01  0.237757D+01  0.267760D+01  0.997571D+01
                96            97            98            99           100 
      1  -0.101271D+02 -0.595767D+02 -0.933361D+01 -0.182169D+02  0.347328D+02
      2   0.163949D+02  0.278710D+02  0.120342D+02  0.148027D+02 -0.229294D+02
      3  -0.626783D+01  0.317057D+02 -0.270061D+01  0.341424D+01 -0.118034D+02
      4   0.274883D+02 -0.127887D+02  0.203869D+02  0.125294D+02  0.591016D+01
      5   0.189630D+02 -0.217572D+02  0.126897D+02  0.299783D+02  0.239649D+02
      6  -0.788413D+01  0.376900D+01 -0.408570D+01 -0.614742D+01  0.172331D+01
               101           102           103           104           105 
      1   0.165513D+01  0.158173D+02 -0.536928D+01  0.697987D+00 -0.495046D+01
      2  -0.391601D+00 -0.124103D+02  0.404771D+01 -0.124221D+01  0.408131D+01
      3  -0.126353D+01 -0.340701D+01  0.132157D+01  0.544226D+00  0.869145D+00
      4   0.526674D+01  0.922445D+00  0.588089D+01 -0.312482D+01  0.498028D+01
      5  -0.955845D+00  0.229699D+02 -0.615684D+01  0.583591D+01 -0.504585D+01
      6   0.117930D+01  0.251617D+01  0.213268D+01 -0.321957D+00  0.387610D+01
               106           107           108           109           110 
      1   0.278872D+02 -0.209884D+01  0.190071D+02  0.580638D+02  0.129644D+02
      2  -0.230409D+02  0.270446D+01 -0.229717D+02 -0.292681D+02 -0.460438D+01
      3  -0.484636D+01 -0.605620D+00  0.396456D+01 -0.287958D+02 -0.836001D+01
      4   0.270151D+01  0.904513D+01  0.395743D+01  0.248906D+02  0.132290D+02
      5   0.366745D+02  0.875793D+00  0.402683D+02 -0.218395D+02 -0.637331D+01
      6   0.386966D+01  0.418380D+01  0.504955D+01 -0.629847D+01 -0.306614D+01
               111           112           113           114           115 
      1  -0.170850D+02  0.120320D+02  0.393080D+01 -0.492146D+01 -0.358122D+02
      2   0.850163D+01 -0.370349D+01  0.211238D+01  0.155336D+01  0.188505D+02
      3   0.858334D+01 -0.832847D+01 -0.604318D+01  0.336810D+01  0.169617D+02
      4  -0.892229D+01  0.151934D+02  0.101195D+02 -0.776909D+01 -0.178815D+02
      5   0.191081D+02 -0.674989D+01 -0.684674D+01  0.422760D+01  0.293955D+02
      6   0.417550D+01 -0.391579D+01 -0.249654D+01  0.374670D+01  0.763610D+01
               116           117           118           119           120 
      1  -0.869198D+01  0.189574D+02  0.967414D+00 -0.315302D+00  0.251135D+01
      2   0.282171D+01 -0.138797D+02 -0.370638D+01  0.202122D+00  0.259226D+00
      3   0.587027D+01 -0.507775D+01  0.273897D+01  0.113181D+00 -0.277058D+01
      4  -0.142266D+02  0.100480D+02 -0.134061D+01  0.258606D+01  0.539322D+00
      5   0.703094D+01 -0.213038D+02  0.947843D+00 -0.212361D+00  0.586689D+01
      6   0.447327D+01 -0.648194D+01 -0.342396D+00 -0.134195D+00 -0.101568D+00
               121           122           123           124           125 
      1   0.103479D+01 -0.538670D+01  0.449743D+01  0.358659D+00  0.205269D+01
      2   0.855187D-01  0.135009D+01  0.514470D+00 -0.240121D+00  0.228579D+01
      3  -0.112031D+01  0.403661D+01 -0.501190D+01 -0.118537D+00 -0.433847D+01
      4   0.243487D+01 -0.106476D+01  0.115092D+01  0.266004D+00  0.400406D+01
      5  -0.587014D+00  0.927969D+00 -0.295015D+01  0.551536D+01 -0.165112D+01
      6  -0.303226D+00 -0.247431D+01  0.606776D+01 -0.979971D-01  0.475351D+01
               126           127           128           129           130 
      1  -0.212662D+02  0.312244D-01  0.593673D+01 -0.382400D+01  0.370539D+01
      2  -0.118236D+02  0.569530D-01 -0.783237D+01  0.362877D+01 -0.364296D+01
      3   0.330897D+02 -0.881774D-01  0.189564D+01  0.195226D+00 -0.624275D-01
      4  -0.280224D+01 -0.160895D+01  0.103130D+01 -0.206434D+01  0.320569D+01
      5   0.110602D+02 -0.102550D+01  0.583870D-01  0.256409D+00 -0.231571D-01
      6  -0.313329D+00 -0.448793D+01  0.251065D+01 -0.299767D+01  0.823055D+00
               131           132           133           134           135 
      1  -0.186443D+02  0.747993D+01 -0.691035D+01  0.147931D+02 -0.151879D+02
      2   0.259626D+02 -0.102705D+02  0.440697D+01 -0.199460D+02  0.141542D+02
      3  -0.731834D+01  0.279054D+01  0.250338D+01  0.515293D+01  0.103373D+01
      4   0.100349D+02 -0.372413D+01 -0.492370D+01 -0.807021D+01  0.604716D+01
      5  -0.523940D+01  0.593201D+01  0.639859D+00  0.847207D+01 -0.104897D+02
      6  -0.941868D+01  0.119607D+02 -0.454252D+00  0.160326D+02 -0.154590D+02
               136           137           138           139           140 
      1   0.546534D+01  0.524593D+01  0.303479D+01  0.276294D+01 -0.268844D+02
      2  -0.420039D+01 -0.376369D+01 -0.115297D+01 -0.401139D+00  0.336100D+02
      3  -0.126495D+01 -0.148223D+01 -0.188183D+01 -0.236180D+01 -0.672563D+01
      4   0.405954D+01  0.591766D+01  0.427148D+01  0.869869D+01  0.222536D+02
      5   0.223438D+01  0.324182D+01  0.407394D+01  0.386014D+01  0.113548D+02
      6   0.370819D+01 -0.300232D+00 -0.745709D+00  0.378933D+01  0.263828D+02
               141           142           143           144           145 
      1  -0.130272D+02 -0.140241D+01 -0.231118D+02 -0.213208D+02 -0.171017D+01
      2   0.131056D+02  0.362330D+01  0.217897D+02  0.127003D+02 -0.100280D+01
      3  -0.783918D-01 -0.222088D+01  0.132210D+01  0.862050D+01  0.271297D+01
      4   0.111941D+02  0.101419D+02  0.185774D+02  0.136734D+02  0.618507D+00
      5   0.926728D+01  0.717531D+01  0.149978D+02  0.138835D+02 -0.259064D+01
      6   0.204508D+02  0.545533D+01  0.302244D+02  0.262151D+02 -0.754084D+00
               146           147           148           149           150 
      1   0.119468D+01 -0.588786D+01  0.276762D+01 -0.921813D+01  0.100035D+02
      2   0.111765D+01  0.726725D+00 -0.909680D+00 -0.106535D+01  0.716036D+01
      3  -0.231233D+01  0.516114D+01 -0.185794D+01  0.102835D+02 -0.171639D+02
      4   0.381912D+00  0.122340D+01  0.381518D+00  0.152425D+02 -0.906445D+01
      5  -0.125427D+00  0.311010D+01 -0.298239D+01 -0.725830D+01  0.113786D+02
      6   0.270090D+01 -0.160657D+01  0.153922D+01 -0.158556D+02  0.109253D+02
               151           152           153           154           155 
      1  -0.354695D+01  0.676901D+01 -0.989872D+01  0.274205D+02 -0.689792D+01
      2   0.115845D+01  0.430000D+01 -0.725523D+01 -0.198001D+02  0.370557D+01
      3   0.238850D+01 -0.110690D+02  0.171539D+02 -0.762036D+01  0.319235D+01
      4   0.101239D+01 -0.707078D+01  0.640889D+01 -0.211019D+02  0.146043D+02
      5   0.471241D+01  0.497648D+01 -0.798390D+01 -0.373388D+02  0.139482D+02
      6  -0.149957D+01  0.109343D+02 -0.850627D+01  0.120745D+02 -0.887658D+01
               156           157           158           159           160 
      1  -0.855664D+01 -0.724211D+01  0.716043D+00  0.138728D+00 -0.632411D+01
      2   0.143827D+02  0.422595D+01 -0.135286D+00 -0.246638D+01  0.107294D+02
      3  -0.582605D+01  0.301617D+01 -0.580756D+00  0.232765D+01 -0.440532D+01
      4   0.118669D+02  0.131546D+02 -0.107915D+02 -0.970821D+01  0.805329D+01
      5   0.301954D+02  0.135810D+02 -0.107370D+02 -0.112262D+02  0.211826D+02
      6  -0.986638D+01 -0.746663D+01  0.798611D+01  0.960807D+01 -0.701339D+01
               161           162           163           164           165 
      1   0.133584D+00  0.226969D+01 -0.111400D+02 -0.135615D+02 -0.133424D+02
      2  -0.172806D+01 -0.104324D+02  0.560478D+01  0.945486D+01  0.202780D+01
      3   0.159448D+01  0.816268D+01  0.553519D+01  0.410665D+01  0.113146D+02
      4  -0.607251D+01 -0.810019D+01  0.155912D+01 -0.796657D+00  0.517138D+00
      5  -0.805563D+01 -0.201899D+02  0.633583D+01  0.451230D+01  0.148891D+01
      6   0.718977D+01  0.788025D+01  0.866676D+01  0.108115D+02  0.765145D+01
               166           167           168           169           170 
      1  -0.108371D+02 -0.162678D+02 -0.888297D+01 -0.655423D+01 -0.486594D+01
      2   0.768302D+01  0.121885D+02  0.245972D+01  0.111409D+01  0.895880D+00
      3   0.315411D+01  0.407926D+01  0.642324D+01  0.544014D+01  0.397006D+01
      4   0.167184D+01 -0.263310D+01 -0.345896D+01  0.117286D+01 -0.184543D+01
      5   0.658919D+01  0.370666D+00 -0.164378D+01  0.451817D+01  0.405867D+00
      6   0.650789D+01  0.124769D+02  0.108708D+02  0.386751D+01  0.751819D+01
               171           172           173           174           175 
      1  -0.726976D+01 -0.141061D+02 -0.251019D+02 -0.104284D+01 -0.157356D+02
      2  -0.172172D+00  0.159277D+02  0.291929D+02  0.102312D+01  0.154636D+02
      3   0.744193D+01 -0.182156D+01 -0.409100D+01  0.197206D-01  0.272030D+00
      4  -0.361286D+00  0.456831D+01 -0.673127D+00  0.237719D+01  0.613549D+01
      5   0.535697D+00 -0.439979D+01 -0.162337D+01 -0.189832D+01 -0.253690D+01
      6   0.526586D+01  0.224589D+00 -0.356677D+01  0.551766D+01 -0.134395D+01
               176           177           178           179           180 
      1  -0.268258D+02 -0.752668D+00 -0.332240D+01 -0.271447D+01 -0.447604D+01
      2   0.368982D+02  0.215121D+01  0.137802D+01  0.578241D+01  0.264347D+01
      3  -0.100724D+02 -0.139854D+01  0.194438D+01 -0.306794D+01  0.183258D+01
      4  -0.772662D+01 -0.638551D+00  0.289355D+01 -0.371645D+01 -0.568425D+00
      5  -0.317955D+01 -0.213015D+01  0.628469D+00 -0.170700D+01  0.192971D+01
      6  -0.278151D+01  0.534532D+01  0.204530D+01  0.503327D+01 -0.574766D+00
               181           182           183           184           185 
      1   0.431753D+02 -0.173996D+02 -0.753196D+01 -0.148308D+02  0.480099D+01
      2  -0.768378D+01 -0.388282D+01  0.117146D+01 -0.198002D+01  0.114941D+02
      3  -0.354915D+02  0.212824D+02  0.636051D+01  0.168108D+02 -0.162951D+02
      4  -0.499595D+02  0.355024D+02  0.746098D+01  0.281225D+02 -0.254887D+02
      5  -0.345472D+01  0.105616D+01  0.100994D+02  0.144274D+01 -0.284786D+01
      6   0.352289D+01 -0.161947D+01 -0.722319D+01 -0.169913D+01  0.212651D+01
               186           187           188           189           190 
      1   0.126589D+01 -0.122796D+02  0.298454D+01  0.509921D+01  0.380071D+01
      2   0.243519D+01  0.634312D+00  0.543911D+01 -0.245718D+01 -0.221491D+01
      3  -0.370108D+01  0.116453D+02 -0.842365D+01 -0.264203D+01 -0.158581D+01
      4  -0.592740D+01  0.170975D+02 -0.152591D+02 -0.886362D+01 -0.638782D+01
      5  -0.327567D+01  0.919502D+01 -0.532433D+01 -0.432001D+01  0.660313D+01
      6   0.397419D+01 -0.693869D+01  0.452176D+01  0.325506D+01 -0.266369D+01
               191           192           193           194           195 
      1  -0.397902D+01  0.383037D+01 -0.310931D+00 -0.208204D+01  0.211050D+01
      2   0.219454D+01 -0.432960D+01 -0.293678D+00  0.132746D+00 -0.404618D+01
      3   0.178449D+01  0.499235D+00  0.604610D+00  0.194929D+01  0.193568D+01
      4   0.460551D+01 -0.247969D+01  0.228283D+01  0.126850D+01  0.273050D+01
      5  -0.112240D+01  0.101594D+02  0.150698D+01  0.281763D+01  0.287483D+01
      6   0.547704D+00 -0.370842D+01  0.164763D+00 -0.957997D+00  0.416813D+01
               196           197           198           199           200 
      1   0.433742D+01  0.462058D+01 -0.948643D+01 -0.211907D+01 -0.966869D+00
      2  -0.620474D+01 -0.488869D+01 -0.165544D+02  0.204240D+01  0.816657D+00
      3   0.186731D+01  0.268108D+00  0.260408D+02  0.766657D-01  0.150212D+00
      4  -0.613055D+01  0.849114D+01 -0.863639D+01 -0.958443D-01  0.137086D+01
      5   0.154312D+02 -0.630462D+01  0.418527D+02 -0.655634D-01 -0.460657D+00
      6  -0.717042D+01  0.983007D+01 -0.287828D+02 -0.507524D+00  0.181437D+00
               201           202           203           204           205 
      1   0.847489D+00 -0.225456D+01 -0.170188D+01  0.521113D+01  0.582615D+01
      2  -0.651610D+00 -0.213584D+01  0.103370D+01 -0.260181D+01 -0.302155D+01
      3  -0.195879D+00  0.439040D+01  0.668184D+00 -0.260932D+01 -0.280460D+01
      4  -0.691314D+00  0.772904D+00 -0.136830D+01  0.204946D+01 -0.318244D+00
      5   0.242498D+01 -0.561628D+00  0.116945D+01 -0.702037D+00  0.152033D+01
      6   0.558510D-01  0.107292D+01 -0.358365D+01  0.356047D+01  0.775634D+00
               206           207           208           209           210 
      1   0.647918D+01 -0.127318D+02  0.231981D+01  0.234690D+01 -0.561250D+01
      2  -0.455185D+01  0.122505D+01 -0.304732D+01 -0.128598D+01  0.202025D+01
      3  -0.192733D+01  0.115068D+02  0.727511D+00 -0.106092D+01  0.359224D+01
      4   0.195156D+01 -0.300108D+01  0.262745D+01  0.140379D+01 -0.159743D+01
      5  -0.185990D+01  0.416788D+01 -0.496491D+01 -0.175477D+01  0.415658D+01
      6   0.506645D+01 -0.726067D+01 -0.183090D+01  0.194338D+00  0.484111D+00
               211           212           213           214           215 
      1   0.254126D+01 -0.399977D+01  0.425063D+01 -0.218857D+01  0.477979D+01
      2  -0.446710D+01  0.581547D+00  0.179350D+01  0.330678D+01  0.136362D+00
      3   0.192584D+01  0.341823D+01 -0.604413D+01 -0.111820D+01 -0.491616D+01
      4  -0.213597D+01  0.153704D+01 -0.235656D+01 -0.352217D+01 -0.354917D+01
      5  -0.505100D+01 -0.338969D+01  0.687833D+01  0.716034D+01  0.564472D+01
      6   0.146856D+01 -0.289554D+01  0.405547D+01  0.244224D+01  0.624391D+01
               216           217           218           219           220 
      1  -0.185447D+02  0.157340D+02 -0.589362D+01 -0.634272D+01 -0.183505D+02
      2  -0.717832D+01 -0.110996D+02  0.369986D+01  0.508567D+01  0.122636D+02
      3   0.257230D+02 -0.463435D+01  0.219376D+01  0.125705D+01  0.608685D+01
      4   0.436257D+01 -0.643730D+01  0.366918D+01  0.494050D+01  0.121375D+02
      5  -0.202125D+02 -0.788460D+01  0.563177D+01  0.110600D+02  0.161805D+02
      6  -0.645978D+01  0.253018D+01 -0.379391D+00 -0.612551D+00 -0.418324D+01
               221           222           223           224           225 
      1   0.135958D+01  0.526655D+01 -0.232064D+02 -0.359355D+00  0.935817D+01
      2  -0.146267D+01 -0.983056D+01  0.179960D+02 -0.490970D+01 -0.223880D+02
      3   0.103094D+00  0.456401D+01  0.521048D+01  0.526906D+01  0.130299D+02
      4  -0.126399D+02 -0.190224D+02  0.437134D+01 -0.190568D+02 -0.161192D+02
      5  -0.177214D+02 -0.258423D+02  0.333336D+02 -0.146430D+02 -0.571452D+02
      6   0.548865D+01  0.842802D+01 -0.261991D+01  0.688849D+01  0.625158D+01
               226           227           228           229           230 
      1   0.992638D+02  0.187860D+01  0.226874D+02 -0.598743D+01  0.823867D+01
      2  -0.473371D+02  0.215874D+00 -0.961740D+01  0.391812D+01 -0.242165D+01
      3  -0.519267D+02 -0.209447D+01 -0.130700D+02  0.206930D+01 -0.581703D+01
      4   0.653473D+01  0.133072D+02  0.249138D+01  0.130656D+02  0.276885D+01
      5   0.183983D+02  0.160205D+01  0.172601D+02  0.525363D+00  0.141813D+01
      6   0.298751D+01 -0.175818D+00  0.189344D+01  0.235498D+00 -0.615658D+00
               231           232           233           234           235 
      1   0.388423D+00  0.502661D+02  0.256492D+01  0.187815D+02  0.308206D+01
      2  -0.868818D+00 -0.238464D+02 -0.113053D+01 -0.106732D+02 -0.303100D+00
      3   0.480395D+00 -0.264198D+02 -0.143440D+01 -0.810830D+01 -0.277896D+01
      4   0.179679D+01  0.500318D+01  0.728868D+01  0.226151D+00  0.269253D+01
      5  -0.264003D+01  0.218309D+02 -0.291175D+00  0.158314D+02  0.285176D+01
      6   0.220904D+01  0.253288D+01  0.168904D+01  0.241605D+01 -0.184911D+01
               236           237           238           239           240 
      1   0.796913D+01  0.430967D+00  0.211858D+02 -0.943951D+01  0.301875D+01
      2  -0.568230D+01  0.314634D-01 -0.616828D+01  0.224811D+02 -0.467983D+01
      3  -0.228683D+01 -0.462431D+00 -0.150175D+02 -0.130416D+02  0.166108D+01
      4  -0.687454D+00  0.169494D+01  0.212314D+02  0.602109D+02 -0.210514D+02
      5   0.102102D+01 -0.156383D+00 -0.900033D+01 -0.194026D+02  0.148528D+02
      6   0.135605D+01 -0.159268D+01 -0.459192D+01 -0.168811D+02  0.112474D+02
               241           242           243 
      1  -0.609201D+01  0.350586D+01  0.134564D+01
      2   0.342545D+01 -0.313438D+01 -0.152206D+01
      3   0.266656D+01 -0.371478D+00  0.176414D+00
      4  -0.383768D+01 -0.161920D+02  0.106598D+02
      5   0.127347D+02  0.109124D+02 -0.170438D+02
      6   0.188317D+01  0.945825D+01 -0.587829D+01
 Leave Link  716 at Fri Aug 13 12:43:50 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.173660D+03  0.588366D+01 -0.280634D+01
      2   0.588366D+01  0.110420D+03 -0.293126D+01
      3  -0.280634D+01 -0.293126D+01  0.114610D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.484916D+01 -0.744328D+01 -0.765296D+01
      2   0.330642D+02 -0.116267D+02 -0.611006D+01
      3  -0.259057D+02  0.410301D+02  0.155348D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.871180D+02  0.274836D+02 -0.148406D+01
      2  -0.711916D+02 -0.255097D+00  0.314736D+01
      3  -0.159264D+02 -0.272285D+02 -0.166330D+01
      4   0.356992D+02 -0.969583D+02 -0.340074D+02
      5  -0.263739D+02 -0.335591D+02 -0.106193D+02
      6  -0.152259D+02 -0.283518D+02  0.111428D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.364643D+01 -0.440273D+01 -0.430053D+01 -0.474062D+01 -0.166579D+01
      2  -0.440273D+01 -0.183527D+01  0.815272D+00 -0.166579D+01  0.167448D+01
      3  -0.430053D+01  0.815272D+00  0.147223D+01  0.111367D+01 -0.388847D+01
                 6             7             8             9            10 
      1   0.111367D+01 -0.313680D+01  0.115038D+01  0.143955D+01 -0.228717D+02
      2  -0.388847D+01  0.115038D+01 -0.316837D+01  0.550026D+00  0.661393D+01
      3   0.102553D+01  0.143955D+01  0.550026D+00  0.342049D+01  0.364946D+01
                11            12            13            14            15 
      1   0.661393D+01  0.364946D+01  0.110097D+02 -0.411159D+00 -0.140446D+01
      2   0.158921D+01 -0.622698D+00 -0.411159D+00  0.758290D+00  0.314539D+01
      3  -0.622698D+00 -0.172020D+01 -0.140446D+01  0.314539D+01 -0.177031D+00
                16            17            18            19            20 
      1   0.140443D+02 -0.170366D+01 -0.250390D+01  0.484250D+02  0.250652D+00
      2  -0.170366D+01  0.403327D+01  0.482815D+00  0.250652D+00  0.446521D+01
      3  -0.250390D+01  0.482815D+00 -0.492785D+01 -0.683885D+00  0.119647D+01
                21            22            23            24            25 
      1  -0.683885D+00 -0.408488D+01  0.902732D+01  0.295482D+01 -0.383711D+01
      2   0.119647D+01  0.902732D+01  0.129493D+01 -0.596162D+00  0.232194D+01
      3   0.559954D+00  0.295482D+01 -0.596162D+00 -0.287237D+01  0.955455D+00
                26            27            28            29            30 
      1   0.232194D+01  0.955455D+00 -0.664550D+02 -0.374134D+01  0.307017D+00
      2  -0.110811D+01 -0.243322D+01 -0.374134D+01 -0.369591D+01 -0.791364D+00
      3  -0.243322D+01  0.492447D+01  0.307017D+00 -0.791364D+00 -0.175580D+01
                31            32            33            34            35 
      1  -0.114685D+02 -0.641563D+01 -0.181324D+01  0.971282D+01 -0.281803D+00
      2  -0.641563D+01 -0.329727D+01 -0.369744D+00 -0.281803D+00  0.864481D+00
      3  -0.181324D+01 -0.369744D+00  0.141762D+01 -0.237768D+01  0.175530D+01
                36            37            38            39            40 
      1  -0.237768D+01  0.599111D+02  0.343662D+01  0.284497D+01  0.132280D+02
      2   0.175530D+01  0.343662D+01  0.203334D+01  0.896004D+00  0.518875D+01
      3  -0.315309D+01  0.284497D+01  0.896004D+00  0.131661D+01  0.125641D+01
                41            42            43            44            45 
      1   0.518875D+01  0.125641D+01 -0.126605D+02 -0.573594D+00  0.415747D+01
      2   0.275673D+01 -0.606941D+00 -0.573594D+00 -0.180980D+01 -0.189655D+01
      3  -0.606941D+00 -0.191026D+01  0.415747D+01 -0.189655D+01  0.231273D+01
                46            47            48            49            50 
      1  -0.192055D+02 -0.101966D+01 -0.316949D+01  0.553284D+01  0.526350D+00
      2  -0.101966D+01  0.123533D+01  0.269090D+00  0.526350D+00  0.682565D+00
      3  -0.316949D+01  0.269090D+00  0.563946D+00  0.328517D+01 -0.968409D+00
                51            52            53            54            55 
      1   0.328517D+01 -0.249544D+02  0.127216D+01 -0.891305D+01  0.547918D+01
      2  -0.968409D+00  0.127216D+01  0.548524D+00  0.100944D+01 -0.697435D+00
      3   0.160943D+01 -0.891305D+01  0.100944D+01 -0.587248D+01  0.275646D+01
                56            57            58            59            60 
      1  -0.697435D+00  0.275646D+01 -0.868946D+01  0.195220D+01 -0.304941D+01
      2   0.239361D+00 -0.527151D+00  0.195220D+01 -0.200449D+01  0.296494D+01
      3  -0.527151D+00  0.112896D+01 -0.304941D+01  0.296494D+01 -0.169610D+01
                61            62            63            64            65 
      1   0.253882D+02 -0.627897D+00  0.100917D+02  0.708811D+01 -0.552778D+01
      2  -0.627897D+00  0.123632D+01 -0.143146D+01 -0.552778D+01 -0.159370D+01
      3   0.100917D+02 -0.143146D+01  0.109631D+02 -0.196046D+01  0.102742D+01
                66            67            68            69            70 
      1  -0.196046D+01 -0.549174D+01 -0.123258D+01  0.125955D+01 -0.523724D+01
      2   0.102742D+01 -0.123258D+01 -0.277050D+00 -0.268043D+01  0.152534D+01
      3   0.127881D+01  0.125955D+01 -0.268043D+01  0.129071D+01  0.170707D+01
                71            72            73            74            75 
      1   0.152534D+01  0.170707D+01  0.493864D+00  0.100198D+01 -0.111774D+01
      2  -0.311410D+01  0.723519D-01  0.100198D+01 -0.421893D+01 -0.190345D+01
      3   0.723519D-01  0.654718D+01 -0.111774D+01 -0.190345D+01  0.296797D+01
                76            77            78            79            80 
      1   0.170718D+01 -0.460985D+01 -0.277692D+01 -0.215477D+01 -0.260177D+01
      2  -0.460985D+01 -0.286718D+01 -0.116517D+01 -0.260177D+01 -0.154596D+01
      3  -0.277692D+01 -0.116517D+01 -0.684896D+00  0.468978D+01 -0.164238D+00
                81            82            83            84            85 
      1   0.468978D+01 -0.919327D+01 -0.720056D+01 -0.116556D+01 -0.891962D+01
      2  -0.164238D+00 -0.720056D+01 -0.193100D+01  0.968749D+00 -0.400126D+01
      3   0.218880D+01 -0.116556D+01  0.968749D+00 -0.526068D+00  0.563709D+00
                86            87            88            89            90 
      1  -0.400126D+01  0.563709D+00  0.567061D+01  0.207444D+01 -0.267875D+00
      2   0.129237D+01  0.120022D+01  0.207444D+01  0.246538D+01  0.474200D+01
      3   0.120022D+01  0.331939D+01 -0.267875D+00  0.474200D+01 -0.480617D+00
                91            92            93            94            95 
      1  -0.129802D+01  0.159912D+01 -0.482341D+01  0.285584D+01 -0.196649D+00
      2   0.159912D+01  0.110621D+01 -0.110061D+01 -0.196649D+00 -0.425706D+01
      3  -0.482341D+01 -0.110061D+01 -0.103913D+01 -0.101531D+01  0.340861D+01
                96            97            98            99           100 
      1  -0.101531D+01 -0.797153D+01 -0.106815D+01 -0.320307D+01 -0.459838D+01
      2   0.340861D+01 -0.106815D+01  0.273152D+01  0.115622D+01 -0.221321D+00
      3   0.165185D+01 -0.320307D+01  0.115622D+01  0.404031D+01 -0.246256D+01
               101           102           103           104           105 
      1  -0.221321D+00 -0.246256D+01  0.738009D+00 -0.484794D+00  0.736369D+00
      2  -0.444430D+00  0.122417D+00 -0.484794D+00  0.459209D+00 -0.598499D+00
      3   0.122417D+00 -0.241227D+01  0.736369D+00 -0.598499D+00  0.704568D+00
               106           107           108           109           110 
      1  -0.431639D+01  0.232285D+00 -0.407607D+01 -0.746634D+01 -0.193083D+01
      2   0.232285D+00 -0.138437D+01 -0.125277D+00 -0.193083D+01 -0.106554D+01
      3  -0.407607D+01 -0.125277D+00 -0.510453D+01  0.250899D+01  0.769765D+00
               111           112           113           114           115 
      1   0.250899D+01 -0.166100D+01 -0.135633D+01  0.874679D+00  0.538159D+01
      2   0.769765D+00 -0.135633D+01 -0.108644D+01  0.799176D+00  0.155549D+01
      3  -0.210494D+01  0.874679D+00  0.799176D+00 -0.545484D+00 -0.350781D+01
               116           117           118           119           120 
      1   0.155549D+01 -0.350781D+01  0.380039D+00  0.431507D+00 -0.836275D+00
      2   0.160153D+01 -0.848907D+00  0.431507D+00 -0.257762D+00 -0.211787D+00
      3  -0.848907D+00  0.261470D+01 -0.836275D+00 -0.211787D+00  0.341343D+00
               121           122           123           124           125 
      1   0.159360D+01 -0.591305D+00 -0.680125D-01 -0.120685D+01 -0.294642D-01
      2  -0.591305D+00  0.566178D+00 -0.974191D+00 -0.294642D-01 -0.146403D+01
      3  -0.680125D-01 -0.974191D+00  0.144140D+01 -0.215234D+00  0.930679D+00
               126           127           128           129           130 
      1  -0.215234D+00  0.806138D+00 -0.879123D-01  0.630739D+00  0.228561D+00
      2   0.930679D+00 -0.879123D-01  0.121241D+01 -0.554433D+00  0.380201D+00
      3  -0.679594D+01  0.630739D+00 -0.554433D+00  0.623807D+00 -0.264890D+00
               131           132           133           134           135 
      1   0.380201D+00 -0.264890D+00  0.126184D+01 -0.260941D+00  0.159477D+00
      2  -0.417746D+01  0.172302D+01 -0.260941D+00  0.342868D+01 -0.274905D+01
      3   0.172302D+01 -0.188829D+01  0.159477D+00 -0.274905D+01  0.339136D+01
               136           137           138           139           140 
      1   0.132096D+01 -0.367405D+00 -0.563741D+00  0.106591D+01 -0.727176D+00
      2  -0.367405D+00  0.304872D+00 -0.273890D-01 -0.727176D+00 -0.647684D+01
      3  -0.563741D+00 -0.273890D-01  0.108197D+00 -0.457307D+00 -0.317320D+01
               141           142           143           144           145 
      1  -0.457307D+00 -0.236826D+01 -0.122670D+01 -0.687599D+00  0.465745D+00
      2  -0.317320D+01 -0.122670D+01 -0.538370D+01 -0.422988D+01 -0.340753D+00
      3  -0.253305D+01 -0.687599D+00 -0.422988D+01 -0.396840D+01  0.869911D+00
               146           147           148           149           150 
      1  -0.340753D+00  0.869911D+00 -0.673134D+00  0.600325D+00 -0.852578D-01
      2   0.640055D+00 -0.307941D+00  0.600325D+00 -0.412421D+01  0.238571D+01
      3  -0.307941D+00  0.466545D+00 -0.852578D-01  0.238571D+01 -0.346775D+01
               151           152           153           154           155 
      1   0.723721D+00 -0.256945D+00  0.102769D+00 -0.653188D+01  0.248182D+01
      2  -0.256945D+00  0.203022D+01 -0.183331D+01  0.248182D+01 -0.170115D+01
      3   0.102769D+00 -0.183331D+01  0.273404D+01  0.376310D+01 -0.145428D+01
               156           157           158           159           160 
      1   0.376310D+01  0.203781D+01 -0.146377D+01 -0.131233D+01  0.176841D+01
      2  -0.145428D+01 -0.146377D+01  0.155384D+01  0.163306D+01 -0.945668D+00
      3  -0.365694D+01 -0.131233D+01  0.163306D+01  0.153803D+01 -0.232153D+01
               161           162           163           164           165 
      1  -0.945668D+00 -0.232153D+01  0.344676D+01  0.194755D+01  0.130013D+01
      2   0.101786D+01  0.105440D+01  0.194755D+01  0.242504D+01  0.119341D+01
      3   0.105440D+01  0.257144D+01  0.130013D+01  0.119341D+01  0.207597D+01
               166           167           168           169           170 
      1   0.169011D+01  0.158485D+01  0.646914D+00  0.402810D+00  0.454404D+00
      2   0.158485D+01  0.289811D+01  0.182849D+01  0.454404D+00  0.963178D+00
      3   0.646914D+00  0.182849D+01  0.176441D+01  0.773590D+00  0.860956D+00
               171           172           173           174           175 
      1   0.773590D+00  0.236944D+01  0.223653D+01  0.402186D+00  0.178523D+01
      2   0.860956D+00  0.223653D+01  0.431264D+01 -0.168982D+00  0.171014D+01
      3   0.119777D+01  0.402186D+00 -0.168982D+00  0.888997D+00  0.329798D-01
               176           177           178           179           180 
      1   0.171014D+01  0.329798D-01  0.738092D+00 -0.381727D-01  0.244258D+00
      2   0.528966D+01  0.220328D+00 -0.381727D-01  0.115961D+01  0.765257D+00
      3   0.220328D+00  0.700114D+00  0.244258D+00  0.765257D+00 -0.233755D+00
               181           182           183           184           185 
      1  -0.748413D+01  0.451397D+01  0.116551D+01  0.194870D+01 -0.259896D+01
      2   0.451397D+01 -0.340023D+01 -0.543897D+00 -0.259896D+01  0.309693D+01
      3   0.116551D+01 -0.543897D+00 -0.145524D+01 -0.658779D+00  0.692828D+00
               186           187           188           189           190 
      1  -0.658779D+00  0.322754D+01 -0.163029D+01 -0.141275D+01 -0.123731D+01
      2   0.692828D+00 -0.163029D+01  0.206187D+01  0.859899D+00  0.753402D+00
      3   0.493849D+00 -0.141275D+01  0.859899D+00  0.557845D+00 -0.914193D+00
               191           192           193           194           195 
      1   0.753402D+00 -0.914193D+00  0.230195D+00  0.483773D-01 -0.171179D+00
      2  -0.866571D-01  0.628023D-01  0.483773D-01 -0.160608D+00 -0.565410D+00
      3   0.628023D-01 -0.101091D+01 -0.171179D+00 -0.565410D+00 -0.562510D+00
               196           197           198           199           200 
      1  -0.136922D+01  0.443653D+00 -0.190088D+01 -0.182432D+01 -0.488882D+00
      2   0.443653D+00 -0.167238D+01  0.122510D+01 -0.488882D+00  0.956485D-02
      3  -0.190088D+01  0.122510D+01 -0.813215D+01  0.869929D+00 -0.789550D-01
               201           202           203           204           205 
      1   0.869929D+00 -0.131593D+01  0.928086D+00  0.349410D+00  0.203767D+01
      2  -0.789550D-01  0.928086D+00 -0.794885D+00  0.115371D+01  0.528201D+00
      3   0.931074D-02  0.349410D+00  0.115371D+01 -0.125964D+01 -0.465566D+00
               206           207           208           209           210 
      1   0.528201D+00 -0.465566D+00  0.141139D+01  0.671655D+00 -0.116641D+01
      2   0.135600D+01 -0.126362D+01  0.671655D+00  0.661151D-01 -0.660006D-01
      3  -0.126362D+01  0.468823D+01 -0.116641D+01 -0.660006D-01 -0.242535D+00
               211           212           213           214           215 
      1   0.987687D+00 -0.258775D+00 -0.733815D+00 -0.181925D+01 -0.564543D+00
      2  -0.258775D+00  0.590211D+00 -0.912133D+00 -0.564543D+00 -0.127234D+01
      3  -0.733815D+00 -0.912133D+00  0.189524D+01  0.883263D+00  0.178535D+01
               216           217           218           219           220 
      1   0.883263D+00  0.256451D+01 -0.718656D+00 -0.534026D+00 -0.234740D+01
      2   0.178535D+01 -0.718656D+00  0.216563D+00  0.473352D+00  0.105994D+01
      3  -0.627383D+01 -0.534026D+00  0.473352D+00  0.740139D+00  0.145198D+01
               221           222           223           224           225 
      1   0.105994D+01  0.145198D+01 -0.353773D+01  0.276953D+00  0.324607D+01
      2  -0.137536D+01 -0.211867D+01  0.276953D+00 -0.221162D+01 -0.167813D+01
      3  -0.211867D+01 -0.292711D+01  0.324607D+01 -0.167813D+01 -0.658884D+01
               226           227           228           229           230 
      1   0.940657D+01  0.259707D+00  0.220531D+01 -0.642301D+00  0.108974D+01
      2   0.259707D+00  0.105824D+01  0.153466D+00  0.108974D+01  0.335690D+00
      3   0.220531D+01  0.153466D+00  0.166276D+01  0.981927D-01  0.816024D-01
               231           232           233           234           235 
      1   0.981927D-01  0.528117D+01  0.408070D+00  0.208675D+01  0.950466D+00
      2   0.816024D-01  0.408070D+00  0.663266D+00 -0.491065D-01  0.546821D+00
      3  -0.273534D+00  0.208675D+01 -0.491065D-01  0.153828D+01  0.424571D+00
               236           237           238           239           240 
      1   0.546821D+00  0.424571D+00  0.339513D+01  0.191778D+01 -0.812957D+00
      2  -0.683588D+00  0.410723D+00  0.191778D+01  0.764966D+01 -0.261966D+01
      3   0.410723D+00 -0.281505D+00 -0.812957D+00 -0.261966D+01  0.194589D+01
               241           242           243 
      1  -0.106862D+01 -0.433715D+00  0.131585D+01
      2  -0.433715D+00 -0.202695D+01  0.145295D+01
      3   0.131585D+01  0.145295D+01 -0.215924D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.585117D+01 -0.458169D+01  0.974736D+00 -0.385025D+01  0.692386D+01
      2   0.656896D+01  0.793622D+01  0.880478D+01  0.643187D+01  0.121297D+02
      3  -0.825366D+01 -0.915881D+01 -0.173532D+01 -0.447926D+01  0.134071D+01
                 6             7             8             9            10 
      1  -0.129008D+02 -0.131295D+00 -0.606935D+01  0.462565D+00 -0.212471D+01
      2  -0.413478D+01  0.154640D+01 -0.239496D+01 -0.881213D+01 -0.202022D+02
      3  -0.643156D+01 -0.279295D+00 -0.577364D+01  0.193018D+01  0.162811D+02
                11            12            13            14            15 
      1   0.250801D+01  0.960793D+00  0.428498D+01 -0.500510D+01 -0.346531D+01
      2   0.147266D+01  0.762496D+01  0.342325D+01 -0.100216D+02 -0.344932D+00
      3   0.496585D+01  0.238897D+01  0.149802D+02  0.607865D+01  0.702126D+01
                16            17            18            19            20 
      1   0.233343D+01  0.667822D+01  0.359931D+01 -0.214814D+00 -0.180018D+01
      2   0.819781D+01 -0.100541D+01  0.109821D+02  0.270630D+02  0.110501D+01
      3  -0.437778D+01  0.742946D+01 -0.225121D+00 -0.222319D+02 -0.646580D+01
                21            22            23            24            25 
      1  -0.111233D+01 -0.775755D+01 -0.282857D+01 -0.264857D+01 -0.297680D+01
      2   0.225495D+01 -0.210920D+01  0.645852D+01  0.487484D+01 -0.149899D+02
      3  -0.593585D+00  0.166621D+01 -0.712638D+01 -0.188137D+01 -0.313573D-01
                26            27            28            29            30 
      1   0.200588D+01  0.483515D+01  0.410327D+01 -0.181646D-01  0.961374D-01
      2   0.320484D+01 -0.329751D+01 -0.370197D+02 -0.405235D+01 -0.410023D+01
      3  -0.313842D+01 -0.177332D+01  0.194942D+02  0.770930D+01  0.123742D+01
                31            32            33            34            35 
      1   0.371713D+01  0.250637D+01 -0.259824D+01  0.224526D+01  0.458767D-01
      2  -0.128270D+02 -0.381168D+01 -0.121740D+01 -0.139383D+02 -0.161493D+01
      3   0.353643D+02  0.705449D+01 -0.103918D+00  0.247285D+01  0.909322D+00
                36            37            38            39            40 
      1  -0.410228D+01 -0.273435D+01 -0.114983D+01 -0.724844D+00 -0.811076D+01
      2  -0.119701D+01  0.438909D+02  0.336221D+01  0.128043D+02  0.139058D+02
      3   0.383949D-01 -0.161435D+02 -0.115005D+02 -0.159937D+01 -0.891851D+01
                41            42            43            44            45 
      1  -0.502553D+00 -0.497100D+01  0.166423D+01  0.127808D+00 -0.894213D+00
      2   0.298773D+01 -0.144017D+01 -0.133869D+02 -0.380596D+01  0.556158D+01
      3  -0.637732D+01  0.800672D+00 -0.347810D+00 -0.505605D+00  0.130891D+01
                46            47            48            49            50 
      1   0.768513D-02  0.199516D+01  0.257407D+01 -0.543728D+01  0.411520D+01
      2  -0.108611D+02 -0.243925D+01 -0.533371D+01  0.664115D+01 -0.280460D+01
      3   0.125448D+01  0.121048D+02  0.437185D+01  0.248447D+02  0.126453D+01
                51            52            53            54            55 
      1  -0.714358D+01  0.236076D+01 -0.366186D+01 -0.273200D+01  0.131210D+01
      2   0.666810D+01 -0.503337D+02  0.895521D+00 -0.278413D+02  0.198385D+01
      3   0.232650D+01  0.471916D+01  0.793433D+01 -0.195899D+01  0.675500D-01
                56            57            58            59            60 
      1  -0.369907D+00 -0.581133D+00 -0.131418D+00 -0.292652D+01 -0.159652D+01
      2  -0.150121D+01  0.798505D+01 -0.935020D+01  0.900269D+01 -0.875400D+01
      3  -0.749694D+01  0.292400D+00 -0.713111D+01  0.660729D+01 -0.812447D+01
                61            62            63            64            65 
      1  -0.146405D+01  0.877293D+01  0.674026D+00  0.839105D+01 -0.173461D+01
      2   0.303615D+02 -0.464260D+01  0.440299D+02  0.884304D+01 -0.670227D+01
      3  -0.424413D+01 -0.120407D+02  0.338589D+01 -0.101401D+02 -0.203365D+02
                66            67            68            69            70 
      1  -0.398497D+01 -0.180433D+01  0.746408D+01 -0.167986D+01 -0.691711D+01
      2  -0.238247D+01 -0.597615D+01  0.556368D+01 -0.211246D+01 -0.938540D+01
      3  -0.169262D+01 -0.102205D+02 -0.560155D+01 -0.458581D+01  0.249112D+00
                71            72            73            74            75 
      1   0.469629D+01 -0.155927D+02 -0.459042D+00 -0.159035D+01  0.348205D+01
      2   0.944695D+00 -0.154062D+02  0.458322D+01  0.822861D+01 -0.994716D+01
      3  -0.489955D+01  0.364460D+01  0.610979D+01 -0.221675D+02 -0.785104D+01
                76            77            78            79            80 
      1  -0.169199D+01 -0.472716D+00 -0.228974D+01  0.528066D+01  0.192594D+01
      2   0.108637D+02  0.279733D+01  0.626821D+00 -0.229418D+02 -0.177940D+01
      3  -0.152086D+02 -0.472650D+01 -0.245474D+01 -0.876514D+01 -0.181579D+01
                81            82            83            84            85 
      1   0.211396D+01  0.216462D+01  0.455389D+01 -0.195578D+01  0.594553D+01
      2  -0.566658D+01 -0.532767D+01 -0.690943D+01  0.198451D+01 -0.894229D+01
      3  -0.478197D+01 -0.668062D+01  0.873016D+01  0.303320D+01  0.202473D+02
                86            87            88            89            90 
      1   0.442015D+01  0.645795D+01 -0.266151D+01  0.153553D+02 -0.323069D+01
      2  -0.478164D+01 -0.499153D+01  0.418743D+00 -0.638276D+01  0.133846D+01
      3   0.805874D+01  0.307360D-01  0.318219D+01  0.922197D-01  0.984529D+01
                91            92            93            94            95 
      1   0.482444D+00 -0.230310D+01  0.105549D+01  0.587127D+01  0.289818D+01
      2  -0.198563D+02 -0.277353D+01 -0.435126D+01 -0.340547D+01  0.148334D+02
      3  -0.782281D+01 -0.107198D+02  0.246456D+01  0.117084D+02  0.204007D+02
                96            97            98            99           100 
      1  -0.811237D+01  0.473283D+01 -0.982738D+00 -0.408589D+01 -0.193920D+01
      2   0.800189D+01 -0.231154D+02  0.391475D+01  0.149384D+02  0.533365D+01
      3  -0.194466D+02  0.428909D+01 -0.108869D+02 -0.760703D+01  0.327021D+01
               101           102           103           104           105 
      1   0.118368D+01 -0.209570D+01  0.511792D+00 -0.115464D+01 -0.799403D-01
      2  -0.863828D+00  0.913233D+01 -0.214875D+01  0.185468D+01 -0.224134D+01
      3  -0.260942D+01  0.274578D+01 -0.705465D-01  0.272969D+01 -0.244154D+01
               106           107           108           109           110 
      1  -0.341068D+01  0.305091D+01 -0.426329D+01  0.274864D+01 -0.200457D+00
      2   0.946727D+01  0.144477D+00  0.165503D+02 -0.968037D+01 -0.308655D+01
      3   0.477097D+01 -0.623897D+01  0.326977D+01  0.117266D+01 -0.459799D+01
               111           112           113           114           115 
      1  -0.268800D+01  0.158320D+01  0.530629D+00 -0.161570D+01 -0.311389D+01
      2   0.104556D+02 -0.363135D+01 -0.317759D+01  0.266442D+01  0.112548D+02
      3   0.250178D+00 -0.250279D+00 -0.269984D+01  0.184964D+01  0.451211D+00
               116           117           118           119           120 
      1   0.912688D+00  0.315674D+01 -0.845624D+00 -0.412770D-01  0.200743D+00
      2   0.283971D+01 -0.114849D+02  0.292667D+01  0.465844D+00  0.626225D+00
      3   0.588432D+01  0.515972D+00  0.298540D+00 -0.994343D+00  0.458391D+00
               121           122           123           124           125 
      1  -0.129898D+01 -0.160102D+01  0.227174D+00 -0.543825D+00  0.440573D+01
      2   0.111796D+01  0.121687D+00 -0.169744D+01 -0.408503D+01 -0.804823D+00
      3   0.237165D+01  0.423948D+00 -0.483960D+00  0.706002D+00 -0.104606D+01
               126           127           128           129           130 
      1  -0.354809D+01  0.210313D+01 -0.138536D+01  0.226862D+01 -0.110988D+01
      2   0.649297D+01 -0.111164D+01  0.114806D+01 -0.635271D-01  0.158092D+01
      3   0.103411D+01 -0.236658D+01  0.907887D+00 -0.259985D+01  0.226305D+01
               131           132           133           134           135 
      1   0.458915D+01 -0.669213D+01  0.816240D+00 -0.561777D+01  0.110366D+02
      2  -0.276747D+01  0.293581D+01 -0.185595D+01  0.458897D+01 -0.555030D+01
      3  -0.825716D+01  0.385390D+01 -0.478400D+01  0.669075D+01 -0.606113D+01
               136           137           138           139           140 
      1  -0.146284D+01 -0.564490D+00  0.314259D+00 -0.528074D+00 -0.221962D+01
      2   0.175673D+01  0.624040D-01  0.450081D+00 -0.215667D-01  0.506690D+01
      3  -0.142742D+01  0.804457D-01  0.102515D+01  0.199277D+01 -0.111485D+02
               141           142           143           144           145 
      1  -0.640667D+01  0.101712D+00 -0.416490D+01 -0.773917D+01 -0.144553D+01
      2   0.441064D+01 -0.246104D+01  0.650762D+01  0.639591D+01 -0.408031D+01
      3  -0.515833D+01  0.283170D+01 -0.825905D+01 -0.720247D+01 -0.745846D+00
               146           147           148           149           150 
      1   0.237313D+01 -0.593253D+00  0.204192D+01 -0.127896D+02  0.414085D+01
      2   0.167237D+01 -0.163797D+01  0.371769D+01 -0.665987D+01  0.711532D+01
      3   0.441112D+00  0.368173D-02  0.282267D+01 -0.671312D+01  0.386625D+01
               151           152           153           154           155 
      1  -0.626902D+00  0.694178D+01 -0.455518D+01  0.204008D+01 -0.338459D+01
      2  -0.333979D+01  0.442204D+01 -0.554358D+01  0.469185D+01 -0.135511D+01
      3  -0.666324D+00  0.312144D+01 -0.312416D+01  0.475888D+00 -0.407605D+01
               156           157           158           159           160 
      1   0.862153D+00 -0.169870D+01  0.195499D+01  0.454249D+00 -0.648712D+00
      2   0.395478D+01 -0.274399D+01 -0.119249D+01 -0.158906D+01 -0.247727D+01
      3  -0.718718D+00 -0.363223D+00  0.295309D+01  0.241410D+01  0.449562D+00
               161           162           163           164           165 
      1   0.289537D+01 -0.315994D+00  0.273100D+01  0.474963D+01 -0.668358D+00
      2  -0.428533D-01 -0.146649D+01 -0.125694D+02 -0.705536D+01 -0.517329D+01
      3   0.217023D+01  0.470101D+00  0.874956D+01  0.478218D+01  0.332747D+01
               166           167           168           169           170 
      1   0.271588D+01  0.432231D+01  0.131123D-01  0.341565D+00  0.271294D+01
      2  -0.670760D+01 -0.753777D+01 -0.386743D+01 -0.444313D+01 -0.293478D+01
      3   0.663532D+01  0.598726D+01  0.410398D+01  0.141504D+01  0.177533D+01
               171           172           173           174           175 
      1   0.609782D+00 -0.240792D+01 -0.188964D+01 -0.338726D+01 -0.136916D+01
      2  -0.378529D+01  0.116981D+01  0.189447D+01 -0.579551D-01  0.141561D+01
      3   0.263741D+01  0.149696D+02  0.147192D+02  0.752932D+00  0.111113D+02
               176           177           178           179           180 
      1  -0.360405D+01 -0.373219D+01 -0.670904D+00 -0.742143D+00  0.153804D-01
      2   0.110741D+01 -0.593855D+00 -0.105502D+01 -0.162539D+01  0.749291D+00
      3   0.174140D+02  0.632535D+00  0.165922D+01  0.265504D+01  0.259812D+01
               181           182           183           184           185 
      1  -0.512181D+01  0.284275D+01  0.492372D+01  0.314521D+01 -0.324032D+01
      2  -0.659918D+01  0.374427D+01  0.706141D+01  0.298222D+01 -0.334651D+01
      3  -0.310095D+01 -0.316246D+01  0.131792D+01  0.230323D+01  0.410564D+01
               186           187           188           189           190 
      1  -0.300815D+01  0.348171D+01 -0.128161D+01 -0.196494D+01  0.123944D+01
      2  -0.277102D+01  0.421184D+01 -0.259598D+01 -0.277177D+01  0.132547D+01
      3   0.526244D+00  0.578958D+00  0.345175D+01 -0.458225D+00  0.526657D+00
               191           192           193           194           195 
      1   0.211600D+00  0.229020D+01 -0.104384D+00  0.196377D+01  0.394493D+00
      2   0.210645D+00  0.266620D+01  0.198171D+00  0.142511D+01  0.133243D+01
      3   0.231067D+00 -0.135177D+01  0.103947D+01 -0.476951D+00 -0.139499D+01
               196           197           198           199           200 
      1   0.348316D+01  0.269954D+01  0.170138D+02 -0.568937D-01  0.473403D+00
      2   0.447704D+00 -0.240539D+01  0.188681D+02 -0.164228D+00 -0.468247D+00
      3  -0.198771D+01 -0.407407D+01  0.566478D+00  0.150699D+01 -0.133170D+00
               201           202           203           204           205 
      1  -0.170743D+00  0.526566D+01  0.295318D-01 -0.155293D+01  0.956417D+00
      2  -0.482107D+00  0.171052D+01  0.173041D+01 -0.265654D-01 -0.407727D+01
      3  -0.552812D+00  0.103358D+01  0.457804D+00 -0.877668D+00 -0.252603D+01
               206           207           208           209           210 
      1   0.260347D+01  0.392075D+01 -0.165414D+01  0.372565D-01  0.333974D-01
      2   0.659127D+00  0.332475D+01 -0.130057D+01  0.416571D+00 -0.746915D+00
      3  -0.146455D+01  0.347887D+00 -0.297038D+01 -0.747413D+00  0.460080D-01
               211           212           213           214           215 
      1   0.627536D+01 -0.578820D+00 -0.949284D-01  0.220030D+01  0.446201D+01
      2  -0.145550D+01 -0.195886D+01  0.300876D+01 -0.320842D+01  0.281560D+01
      3   0.951150D+01 -0.183480D+00  0.198053D+01  0.325462D+01  0.317628D+01
               216           217           218           219           220 
      1  -0.253020D+00  0.301088D+00 -0.559770D+00 -0.804154D+00 -0.227785D+01
      2  -0.103597D+02  0.140515D+00  0.134971D+01  0.381920D+01  0.429074D+01
      3  -0.350031D+01  0.156897D+01 -0.258973D+01 -0.194428D+01 -0.710135D+01
               221           222           223           224           225 
      1   0.284700D+01  0.255083D+01 -0.268948D+01  0.449330D+01  0.498251D+01
      2  -0.832385D+01 -0.121821D+02  0.910740D+01 -0.720879D+01 -0.260372D+02
      3   0.629515D+01  0.107184D+02 -0.434512D+01  0.959795D+01  0.103056D+02
               226           227           228           229           230 
      1  -0.153310D+01 -0.736950D-01 -0.110399D+01 -0.835880D+00 -0.335038D+00
      2   0.159956D+02  0.779160D+00  0.114863D+02  0.289745D+00  0.725819D+00
      3   0.298294D+01 -0.660995D+01  0.603686D+00 -0.273468D+01 -0.821146D+00
               231           232           233           234           235 
      1  -0.499979D+00 -0.117889D+01  0.869257D+00 -0.692231D+00  0.226587D+00
      2  -0.108097D+01  0.988264D+01 -0.229295D+00  0.893998D+01  0.109397D+01
      3  -0.453708D+00  0.457566D+00 -0.362315D+01  0.106716D+01  0.212148D+00
               236           237           238           239           240 
      1   0.718599D+00 -0.165851D+00 -0.194600D+01 -0.583857D+01 -0.459726D+00
      2   0.189084D+01  0.475556D+00  0.749766D+00 -0.942118D+01  0.740605D+01
      3   0.347690D+01 -0.221197D+01 -0.657197D+01 -0.340961D+02  0.123105D+02
               241           242           243 
      1  -0.218466D-01  0.208257D+01  0.807961D-01
      2   0.335239D+01  0.559244D+01 -0.754835D+01
      3   0.867431D+00  0.887802D+01 -0.627313D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.885845D+00  0.187765D+02  0.179482D+02  0.167305D+02  0.124442D+02
      2   0.230219D+01 -0.154102D+02 -0.129549D+02 -0.139273D+02  0.466392D+01
      3  -0.318804D+01 -0.336628D+01 -0.499330D+01 -0.280315D+01 -0.171081D+02
      4   0.201843D+02 -0.264638D+01 -0.119476D+02 -0.826378D+00 -0.101586D+02
      5   0.255432D+02 -0.176816D+02 -0.194629D+02 -0.190075D+02  0.105071D+02
      6  -0.179835D+02 -0.491758D+01  0.522368D+01 -0.304965D+01  0.163776D+01
                 6             7             8             9            10 
      1  -0.516683D+01  0.126234D+02 -0.550426D+01 -0.149310D+02 -0.201737D+02
      2  -0.315182D+01 -0.818284D+01 -0.382778D+01 -0.213758D+01  0.221667D+02
      3   0.831865D+01 -0.444056D+01  0.933204D+01  0.170686D+02 -0.199304D+01
      4   0.150586D+02 -0.119183D+02  0.129120D+02  0.779945D+00 -0.362949D+02
      5  -0.950630D+00 -0.177147D+02  0.857424D+00 -0.829520D+01 -0.128460D+02
      6  -0.120637D+02  0.481063D+01 -0.111530D+02  0.820626D+01  0.610184D+01
                11            12            13            14            15 
      1  -0.217626D+02 -0.784872D+01 -0.275918D+02 -0.247946D+02 -0.504722D+01
      2   0.142647D+02  0.381151D+01  0.175058D+02  0.782588D+01  0.725356D+01
      3   0.749797D+01  0.403720D+01  0.100860D+02  0.169687D+02 -0.220635D+01
      4  -0.288075D+00  0.471583D+01 -0.328815D+01 -0.325981D+01 -0.160171D+02
      5   0.325614D+01  0.103577D+02  0.526271D+01 -0.138378D+02  0.208654D+01
      6  -0.434084D+01 -0.102102D+01 -0.255050D+01  0.128934D+02  0.684350D-01
                16            17            18            19            20 
      1   0.753441D+00 -0.351209D+01  0.127862D+02  0.644709D+02  0.963690D+01
      2  -0.937416D+01  0.990407D+01 -0.479778D+01 -0.641804D+02 -0.119356D+02
      3   0.862072D+01 -0.639198D+01 -0.798844D+01 -0.290516D+00  0.229867D+01
      4   0.828235D+01 -0.198987D+02 -0.193847D+01  0.571647D+01 -0.167671D+02
      5   0.113893D+02 -0.518871D+00  0.210321D+02 -0.768231D+01 -0.418889D+01
      6  -0.284321D+01 -0.161883D+01 -0.101229D+02 -0.138024D+02 -0.402471D+01
                21            22            23            24            25 
      1   0.289178D+01  0.114188D+02  0.979521D+01 -0.141193D+01  0.253245D+01
      2  -0.445792D+01 -0.155686D+02 -0.115649D+02 -0.349757D+01  0.121897D+01
      3   0.156614D+01  0.414983D+01  0.176971D+01  0.490950D+01 -0.375142D+01
      4  -0.406926D+01 -0.317030D+02 -0.514451D+01  0.398102D+01 -0.851229D+01
      5   0.397943D+00 -0.865601D+01  0.277870D+00  0.621537D+01 -0.291179D+01
      6  -0.921252D+00 -0.748674D+01 -0.397681D+01  0.141081D+01 -0.121777D+01
                26            27            28            29            30 
      1  -0.202368D+01  0.741669D+01 -0.132267D+03 -0.631545D+01 -0.521603D+01
      2  -0.410289D+01  0.112088D+02  0.977912D+02  0.481062D+01  0.287419D+01
      3   0.612657D+01 -0.186254D+02  0.344762D+02  0.150483D+01  0.234184D+01
      4   0.721172D+01  0.509183D+01  0.309220D+01 -0.107562D+02 -0.182549D+01
      5   0.354978D+01 -0.745058D+01  0.626480D+01 -0.165580D+01 -0.116718D+02
      6   0.439535D+01  0.255887D+01  0.169840D+02  0.568527D+01  0.183974D+01
                31            32            33            34            35 
      1  -0.320576D+02 -0.267158D+02 -0.822759D+01  0.293486D+02 -0.405922D+01
      2   0.279069D+02  0.250185D+02  0.456523D+01 -0.170179D+02  0.443575D+01
      3   0.415076D+01  0.169733D+01  0.366236D+01 -0.123307D+02 -0.376530D+00
      4  -0.871453D+01 -0.886942D+01 -0.229339D+01 -0.130284D+01  0.191057D-01
      5  -0.551429D+00 -0.709196D+00 -0.294914D+01  0.114368D+01  0.175333D+01
      6   0.261971D+01  0.699623D+01  0.471288D+01 -0.559047D+00 -0.953949D+00
                36            37            38            39            40 
      1  -0.398208D+01  0.157920D+03  0.109777D+02  0.957961D+01  0.345675D+02
      2  -0.160413D+01 -0.112027D+03 -0.682895D+01 -0.627011D+01 -0.181553D+02
      3   0.558621D+01 -0.458933D+02 -0.414878D+01 -0.330950D+01 -0.164121D+02
      4   0.228094D+01 -0.499873D+01  0.176834D+02  0.122958D+01  0.304371D+02
      5  -0.136530D+01  0.114566D+02  0.271858D+01  0.205574D+02  0.540411D+01
      6   0.533865D+01 -0.183564D+02 -0.528040D+01 -0.329212D+01 -0.115865D+02
                41            42            43            44            45 
      1   0.265986D+01 -0.321059D+01 -0.335081D+02 -0.942006D+01  0.130165D+02
      2   0.415555D+01 -0.285194D+01  0.214474D+02  0.382547D+01 -0.206784D+01
      3  -0.681541D+01  0.606253D+01  0.120607D+02  0.559459D+01 -0.109487D+02
      4   0.706438D+01 -0.306517D+01  0.180465D+01 -0.399722D+01 -0.703851D+01
      5  -0.255287D+01 -0.462601D+01  0.275837D+02 -0.483774D+01  0.698577D+01
      6  -0.952640D+00  0.470282D+01 -0.223692D+01  0.382326D+01  0.637365D+01
                46            47            48            49            50 
      1  -0.667081D+02 -0.582242D+01  0.915774D+01  0.195686D+01 -0.326440D+01
      2   0.483926D+02 -0.167129D+01 -0.194906D+01 -0.686675D+01  0.653337D+01
      3   0.183154D+02  0.749371D+01 -0.720868D+01  0.490990D+01 -0.326897D+01
      4  -0.659805D+01 -0.169523D+02  0.563489D+01 -0.107578D-01  0.241251D+01
      5  -0.231556D+01  0.264371D+01 -0.178837D+02  0.265333D+02 -0.590575D+01
      6   0.132378D+02  0.150634D+01 -0.715042D+00 -0.247563D+01  0.506974D+01
                51            52            53            54            55 
      1   0.987032D+01 -0.432384D+02  0.564928D+01 -0.180750D+02  0.313150D+02
      2  -0.110577D+02  0.427136D+02  0.487332D+00  0.217100D+02 -0.185748D+02
      3   0.118743D+01  0.524782D+00 -0.613662D+01 -0.363496D+01 -0.127402D+02
      4  -0.753668D+01  0.276476D+02 -0.590739D+01  0.103820D+02 -0.772841D+01
      5   0.780860D+01 -0.625744D+02  0.547793D+01 -0.441425D+02  0.210459D+02
      6   0.338769D+01  0.132531D+02 -0.644031D+01  0.777551D+01 -0.241251D+01
                56            57            58            59            60 
      1  -0.340854D+01  0.112992D+02 -0.246296D+02 -0.241907D+00 -0.337107D+01
      2   0.291003D+01 -0.771361D+01  0.155511D+02  0.107147D+01  0.351161D+01
      3   0.498512D+00 -0.358556D+01  0.907849D+01 -0.829564D+00 -0.140536D+00
      4   0.128614D+02 -0.541439D+01  0.232993D+02 -0.159824D+02  0.212638D+02
      5  -0.447559D+01  0.216265D+02 -0.195023D+02  0.206296D+02 -0.123976D+02
      6   0.192576D+01 -0.140142D+01  0.110086D+02 -0.892337D+01  0.134243D+02
                61            62            63            64            65 
      1   0.706495D+02  0.295029D+01  0.331733D+01 -0.235796D+01  0.364707D+02
      2  -0.555341D+02 -0.229726D+01 -0.322803D+02 -0.197451D+02 -0.254657D+02
      3  -0.151154D+02 -0.653036D+00  0.289630D+02  0.221031D+02 -0.110050D+02
      4  -0.154277D+02  0.167143D+02 -0.155385D+02  0.359664D+02 -0.186023D+02
      5   0.692683D+02 -0.985868D+01  0.767650D+02  0.876009D+01 -0.290151D+01
      6  -0.119007D+02  0.148567D+02 -0.985468D+01 -0.791440D+01  0.679670D+01
                66            67            68            69            70 
      1   0.106145D+02  0.320902D+02  0.394975D+01  0.143173D+00  0.104197D+02
      2  -0.286602D+00 -0.204698D+02 -0.360058D+01 -0.738424D+01  0.545369D+01
      3  -0.103279D+02 -0.116205D+02 -0.349171D+00  0.724107D+01 -0.158734D+02
      4  -0.127159D+02 -0.138767D+02 -0.791988D+01  0.153098D+02 -0.184236D+02
      5  -0.460809D+01 -0.403631D+01  0.150437D+02 -0.646884D+01 -0.644442D+01
      6   0.414440D+01  0.814881D+01 -0.135513D+02  0.541611D+01  0.552439D+01
                71            72            73            74            75 
      1  -0.239657D+01 -0.376524D+01 -0.833167D+01 -0.114456D+02  0.318587D+01
      2  -0.957925D+01  0.171057D+02  0.581488D+01  0.936926D+01  0.502563D+01
      3   0.119758D+02 -0.133405D+02  0.251679D+01  0.207637D+01 -0.821150D+01
      4   0.181690D+02  0.364808D+01 -0.841752D+01  0.120905D+02  0.112694D+02
      5  -0.859919D+00 -0.335931D+02  0.108225D+02  0.108646D+02 -0.256090D+02
      6   0.563545D+01  0.187792D+02  0.305799D+01  0.825268D+01 -0.262073D+01
                76            77            78            79            80 
      1  -0.135629D+02  0.326174D+02  0.184862D+02  0.110754D+02  0.189494D+02
      2   0.110367D+02 -0.155956D+02 -0.990707D+01  0.298710D+01 -0.112558D+02
      3   0.252625D+01 -0.170217D+02 -0.857917D+01 -0.140625D+02 -0.769359D+01
      4   0.242965D+02  0.203638D+02  0.927967D+01  0.208844D+02  0.128493D+02
      5   0.183941D+02  0.708709D+01  0.266507D+01 -0.387336D+02 -0.491301D+00
      6   0.682517D+01  0.136599D+01  0.316641D+00 -0.555919D+01  0.205382D+01
                81            82            83            84            85 
      1  -0.321614D+02 -0.406563D+02  0.683089D+01  0.570755D+01  0.120583D+02
      2   0.240021D+02  0.440709D+02  0.502506D+01 -0.641050D+01  0.280952D+01
      3   0.815935D+01 -0.341463D+01 -0.118559D+02  0.702948D+00 -0.148678D+02
      4  -0.501800D+01  0.236012D+02  0.187371D+02 -0.952912D+00  0.242719D+02
      5  -0.157140D+02  0.550479D+01  0.606867D+00  0.196974D+01 -0.753650D+00
      6   0.227441D+01  0.112063D+02 -0.240666D+01  0.254674D+01 -0.116724D+01
                86            87            88            89            90 
      1   0.723641D+01 -0.107987D+01  0.197551D+02  0.381374D+01  0.235516D+02
      2  -0.839071D+00  0.172599D+01 -0.199815D+02 -0.353581D+01 -0.257634D+02
      3  -0.639734D+01 -0.646115D+00  0.226340D+00 -0.277931D+00  0.221182D+01
      4   0.182255D+00 -0.745605D+01 -0.634522D+01 -0.127581D+02 -0.121096D+02
      5  -0.302084D+01 -0.103018D+02  0.276305D+01 -0.153572D+02  0.215251D+01
      6  -0.964445D+01 -0.193759D+02 -0.187018D+01 -0.301335D+02 -0.472944D+01
                91            92            93            94            95 
      1  -0.175310D+02  0.883116D+01 -0.409952D+02  0.199858D+02  0.134066D+02
      2   0.717640D+01 -0.214736D+01  0.195053D+02 -0.159626D+02 -0.119592D+02
      3   0.103546D+02 -0.668380D+01  0.214899D+02 -0.402326D+01 -0.144738D+01
      4   0.148317D+02  0.143416D+02 -0.114061D+02 -0.245854D+01 -0.314029D+02
      5  -0.471325D+02 -0.105613D+02 -0.123893D+01 -0.131239D+02  0.252092D+02
      6  -0.682242D+01 -0.455983D+01  0.237757D+01  0.267760D+01  0.997571D+01
                96            97            98            99           100 
      1  -0.101271D+02 -0.595767D+02 -0.933361D+01 -0.182169D+02  0.347328D+02
      2   0.163949D+02  0.278710D+02  0.120342D+02  0.148027D+02 -0.229294D+02
      3  -0.626783D+01  0.317057D+02 -0.270061D+01  0.341424D+01 -0.118034D+02
      4   0.274883D+02 -0.127887D+02  0.203869D+02  0.125294D+02  0.591016D+01
      5   0.189630D+02 -0.217572D+02  0.126897D+02  0.299783D+02  0.239649D+02
      6  -0.788413D+01  0.376900D+01 -0.408570D+01 -0.614742D+01  0.172331D+01
               101           102           103           104           105 
      1   0.165513D+01  0.158173D+02 -0.536928D+01  0.697987D+00 -0.495046D+01
      2  -0.391601D+00 -0.124103D+02  0.404771D+01 -0.124221D+01  0.408131D+01
      3  -0.126353D+01 -0.340701D+01  0.132157D+01  0.544226D+00  0.869145D+00
      4   0.526674D+01  0.922445D+00  0.588089D+01 -0.312482D+01  0.498028D+01
      5  -0.955845D+00  0.229699D+02 -0.615684D+01  0.583591D+01 -0.504585D+01
      6   0.117930D+01  0.251617D+01  0.213268D+01 -0.321957D+00  0.387610D+01
               106           107           108           109           110 
      1   0.278872D+02 -0.209884D+01  0.190071D+02  0.580638D+02  0.129644D+02
      2  -0.230409D+02  0.270446D+01 -0.229717D+02 -0.292681D+02 -0.460438D+01
      3  -0.484636D+01 -0.605620D+00  0.396456D+01 -0.287958D+02 -0.836001D+01
      4   0.270151D+01  0.904513D+01  0.395743D+01  0.248906D+02  0.132290D+02
      5   0.366745D+02  0.875793D+00  0.402683D+02 -0.218395D+02 -0.637331D+01
      6   0.386966D+01  0.418380D+01  0.504955D+01 -0.629847D+01 -0.306614D+01
               111           112           113           114           115 
      1  -0.170850D+02  0.120320D+02  0.393080D+01 -0.492146D+01 -0.358122D+02
      2   0.850163D+01 -0.370349D+01  0.211238D+01  0.155336D+01  0.188505D+02
      3   0.858334D+01 -0.832847D+01 -0.604318D+01  0.336810D+01  0.169617D+02
      4  -0.892229D+01  0.151934D+02  0.101195D+02 -0.776909D+01 -0.178815D+02
      5   0.191081D+02 -0.674989D+01 -0.684674D+01  0.422760D+01  0.293955D+02
      6   0.417550D+01 -0.391579D+01 -0.249654D+01  0.374670D+01  0.763610D+01
               116           117           118           119           120 
      1  -0.869198D+01  0.189574D+02  0.967414D+00 -0.315302D+00  0.251135D+01
      2   0.282171D+01 -0.138797D+02 -0.370638D+01  0.202122D+00  0.259226D+00
      3   0.587027D+01 -0.507775D+01  0.273897D+01  0.113181D+00 -0.277058D+01
      4  -0.142266D+02  0.100480D+02 -0.134061D+01  0.258606D+01  0.539322D+00
      5   0.703094D+01 -0.213038D+02  0.947843D+00 -0.212361D+00  0.586689D+01
      6   0.447327D+01 -0.648194D+01 -0.342396D+00 -0.134195D+00 -0.101568D+00
               121           122           123           124           125 
      1   0.103479D+01 -0.538670D+01  0.449743D+01  0.358659D+00  0.205269D+01
      2   0.855187D-01  0.135009D+01  0.514470D+00 -0.240121D+00  0.228579D+01
      3  -0.112031D+01  0.403661D+01 -0.501190D+01 -0.118537D+00 -0.433847D+01
      4   0.243487D+01 -0.106476D+01  0.115092D+01  0.266004D+00  0.400406D+01
      5  -0.587014D+00  0.927969D+00 -0.295015D+01  0.551536D+01 -0.165112D+01
      6  -0.303226D+00 -0.247431D+01  0.606776D+01 -0.979971D-01  0.475351D+01
               126           127           128           129           130 
      1  -0.212662D+02  0.312244D-01  0.593673D+01 -0.382400D+01  0.370539D+01
      2  -0.118236D+02  0.569530D-01 -0.783237D+01  0.362877D+01 -0.364296D+01
      3   0.330897D+02 -0.881774D-01  0.189564D+01  0.195226D+00 -0.624275D-01
      4  -0.280224D+01 -0.160895D+01  0.103130D+01 -0.206434D+01  0.320569D+01
      5   0.110602D+02 -0.102550D+01  0.583870D-01  0.256409D+00 -0.231571D-01
      6  -0.313329D+00 -0.448793D+01  0.251065D+01 -0.299767D+01  0.823055D+00
               131           132           133           134           135 
      1  -0.186443D+02  0.747993D+01 -0.691035D+01  0.147931D+02 -0.151879D+02
      2   0.259626D+02 -0.102705D+02  0.440697D+01 -0.199460D+02  0.141542D+02
      3  -0.731834D+01  0.279054D+01  0.250338D+01  0.515293D+01  0.103373D+01
      4   0.100349D+02 -0.372413D+01 -0.492370D+01 -0.807021D+01  0.604716D+01
      5  -0.523940D+01  0.593201D+01  0.639859D+00  0.847207D+01 -0.104897D+02
      6  -0.941868D+01  0.119607D+02 -0.454252D+00  0.160326D+02 -0.154590D+02
               136           137           138           139           140 
      1   0.546534D+01  0.524593D+01  0.303479D+01  0.276294D+01 -0.268844D+02
      2  -0.420039D+01 -0.376369D+01 -0.115297D+01 -0.401139D+00  0.336100D+02
      3  -0.126495D+01 -0.148223D+01 -0.188183D+01 -0.236180D+01 -0.672563D+01
      4   0.405954D+01  0.591766D+01  0.427148D+01  0.869869D+01  0.222536D+02
      5   0.223438D+01  0.324182D+01  0.407394D+01  0.386014D+01  0.113548D+02
      6   0.370819D+01 -0.300232D+00 -0.745709D+00  0.378933D+01  0.263828D+02
               141           142           143           144           145 
      1  -0.130272D+02 -0.140241D+01 -0.231118D+02 -0.213208D+02 -0.171017D+01
      2   0.131056D+02  0.362330D+01  0.217897D+02  0.127003D+02 -0.100280D+01
      3  -0.783918D-01 -0.222088D+01  0.132210D+01  0.862050D+01  0.271297D+01
      4   0.111941D+02  0.101419D+02  0.185774D+02  0.136734D+02  0.618507D+00
      5   0.926728D+01  0.717531D+01  0.149978D+02  0.138835D+02 -0.259064D+01
      6   0.204508D+02  0.545533D+01  0.302244D+02  0.262151D+02 -0.754084D+00
               146           147           148           149           150 
      1   0.119468D+01 -0.588786D+01  0.276762D+01 -0.921813D+01  0.100035D+02
      2   0.111765D+01  0.726725D+00 -0.909680D+00 -0.106535D+01  0.716036D+01
      3  -0.231233D+01  0.516114D+01 -0.185794D+01  0.102835D+02 -0.171639D+02
      4   0.381912D+00  0.122340D+01  0.381518D+00  0.152425D+02 -0.906445D+01
      5  -0.125427D+00  0.311010D+01 -0.298239D+01 -0.725830D+01  0.113786D+02
      6   0.270090D+01 -0.160657D+01  0.153922D+01 -0.158556D+02  0.109253D+02
               151           152           153           154           155 
      1  -0.354695D+01  0.676901D+01 -0.989872D+01  0.274205D+02 -0.689792D+01
      2   0.115845D+01  0.430000D+01 -0.725523D+01 -0.198001D+02  0.370557D+01
      3   0.238850D+01 -0.110690D+02  0.171539D+02 -0.762036D+01  0.319235D+01
      4   0.101239D+01 -0.707078D+01  0.640889D+01 -0.211019D+02  0.146043D+02
      5   0.471241D+01  0.497648D+01 -0.798390D+01 -0.373388D+02  0.139482D+02
      6  -0.149957D+01  0.109343D+02 -0.850627D+01  0.120745D+02 -0.887658D+01
               156           157           158           159           160 
      1  -0.855664D+01 -0.724211D+01  0.716043D+00  0.138728D+00 -0.632411D+01
      2   0.143827D+02  0.422595D+01 -0.135286D+00 -0.246638D+01  0.107294D+02
      3  -0.582605D+01  0.301617D+01 -0.580756D+00  0.232765D+01 -0.440532D+01
      4   0.118669D+02  0.131546D+02 -0.107915D+02 -0.970821D+01  0.805329D+01
      5   0.301954D+02  0.135810D+02 -0.107370D+02 -0.112262D+02  0.211826D+02
      6  -0.986638D+01 -0.746663D+01  0.798611D+01  0.960807D+01 -0.701339D+01
               161           162           163           164           165 
      1   0.133584D+00  0.226969D+01 -0.111400D+02 -0.135615D+02 -0.133424D+02
      2  -0.172806D+01 -0.104324D+02  0.560478D+01  0.945486D+01  0.202780D+01
      3   0.159448D+01  0.816268D+01  0.553519D+01  0.410665D+01  0.113146D+02
      4  -0.607251D+01 -0.810019D+01  0.155912D+01 -0.796657D+00  0.517138D+00
      5  -0.805563D+01 -0.201899D+02  0.633583D+01  0.451230D+01  0.148891D+01
      6   0.718977D+01  0.788025D+01  0.866676D+01  0.108115D+02  0.765145D+01
               166           167           168           169           170 
      1  -0.108371D+02 -0.162678D+02 -0.888297D+01 -0.655423D+01 -0.486594D+01
      2   0.768302D+01  0.121885D+02  0.245972D+01  0.111409D+01  0.895880D+00
      3   0.315411D+01  0.407926D+01  0.642324D+01  0.544014D+01  0.397006D+01
      4   0.167184D+01 -0.263310D+01 -0.345896D+01  0.117286D+01 -0.184543D+01
      5   0.658919D+01  0.370666D+00 -0.164378D+01  0.451817D+01  0.405867D+00
      6   0.650789D+01  0.124769D+02  0.108708D+02  0.386751D+01  0.751819D+01
               171           172           173           174           175 
      1  -0.726976D+01 -0.141061D+02 -0.251019D+02 -0.104284D+01 -0.157356D+02
      2  -0.172172D+00  0.159277D+02  0.291929D+02  0.102312D+01  0.154636D+02
      3   0.744193D+01 -0.182156D+01 -0.409100D+01  0.197206D-01  0.272030D+00
      4  -0.361286D+00  0.456831D+01 -0.673127D+00  0.237719D+01  0.613549D+01
      5   0.535697D+00 -0.439979D+01 -0.162337D+01 -0.189832D+01 -0.253690D+01
      6   0.526586D+01  0.224589D+00 -0.356677D+01  0.551766D+01 -0.134395D+01
               176           177           178           179           180 
      1  -0.268258D+02 -0.752668D+00 -0.332240D+01 -0.271447D+01 -0.447604D+01
      2   0.368982D+02  0.215121D+01  0.137802D+01  0.578241D+01  0.264347D+01
      3  -0.100724D+02 -0.139854D+01  0.194438D+01 -0.306794D+01  0.183258D+01
      4  -0.772662D+01 -0.638551D+00  0.289355D+01 -0.371645D+01 -0.568425D+00
      5  -0.317955D+01 -0.213015D+01  0.628469D+00 -0.170700D+01  0.192971D+01
      6  -0.278151D+01  0.534532D+01  0.204530D+01  0.503327D+01 -0.574766D+00
               181           182           183           184           185 
      1   0.431753D+02 -0.173996D+02 -0.753196D+01 -0.148308D+02  0.480099D+01
      2  -0.768378D+01 -0.388282D+01  0.117146D+01 -0.198002D+01  0.114941D+02
      3  -0.354915D+02  0.212824D+02  0.636051D+01  0.168108D+02 -0.162951D+02
      4  -0.499595D+02  0.355024D+02  0.746098D+01  0.281225D+02 -0.254887D+02
      5  -0.345472D+01  0.105616D+01  0.100994D+02  0.144274D+01 -0.284786D+01
      6   0.352289D+01 -0.161947D+01 -0.722319D+01 -0.169913D+01  0.212651D+01
               186           187           188           189           190 
      1   0.126589D+01 -0.122796D+02  0.298454D+01  0.509921D+01  0.380071D+01
      2   0.243519D+01  0.634312D+00  0.543911D+01 -0.245718D+01 -0.221491D+01
      3  -0.370108D+01  0.116453D+02 -0.842365D+01 -0.264203D+01 -0.158581D+01
      4  -0.592740D+01  0.170975D+02 -0.152591D+02 -0.886362D+01 -0.638782D+01
      5  -0.327567D+01  0.919502D+01 -0.532433D+01 -0.432001D+01  0.660313D+01
      6   0.397419D+01 -0.693869D+01  0.452176D+01  0.325506D+01 -0.266369D+01
               191           192           193           194           195 
      1  -0.397902D+01  0.383037D+01 -0.310931D+00 -0.208204D+01  0.211050D+01
      2   0.219454D+01 -0.432960D+01 -0.293678D+00  0.132746D+00 -0.404618D+01
      3   0.178449D+01  0.499235D+00  0.604610D+00  0.194929D+01  0.193568D+01
      4   0.460551D+01 -0.247969D+01  0.228283D+01  0.126850D+01  0.273050D+01
      5  -0.112240D+01  0.101594D+02  0.150698D+01  0.281763D+01  0.287483D+01
      6   0.547704D+00 -0.370842D+01  0.164763D+00 -0.957997D+00  0.416813D+01
               196           197           198           199           200 
      1   0.433742D+01  0.462058D+01 -0.948643D+01 -0.211907D+01 -0.966869D+00
      2  -0.620474D+01 -0.488869D+01 -0.165544D+02  0.204240D+01  0.816657D+00
      3   0.186731D+01  0.268108D+00  0.260408D+02  0.766657D-01  0.150212D+00
      4  -0.613055D+01  0.849114D+01 -0.863639D+01 -0.958443D-01  0.137086D+01
      5   0.154312D+02 -0.630462D+01  0.418527D+02 -0.655634D-01 -0.460657D+00
      6  -0.717042D+01  0.983007D+01 -0.287828D+02 -0.507524D+00  0.181437D+00
               201           202           203           204           205 
      1   0.847489D+00 -0.225456D+01 -0.170188D+01  0.521113D+01  0.582615D+01
      2  -0.651610D+00 -0.213584D+01  0.103370D+01 -0.260181D+01 -0.302155D+01
      3  -0.195879D+00  0.439040D+01  0.668184D+00 -0.260932D+01 -0.280460D+01
      4  -0.691314D+00  0.772904D+00 -0.136830D+01  0.204946D+01 -0.318244D+00
      5   0.242498D+01 -0.561628D+00  0.116945D+01 -0.702037D+00  0.152033D+01
      6   0.558510D-01  0.107292D+01 -0.358365D+01  0.356047D+01  0.775634D+00
               206           207           208           209           210 
      1   0.647918D+01 -0.127318D+02  0.231981D+01  0.234690D+01 -0.561250D+01
      2  -0.455185D+01  0.122505D+01 -0.304732D+01 -0.128598D+01  0.202025D+01
      3  -0.192733D+01  0.115068D+02  0.727511D+00 -0.106092D+01  0.359224D+01
      4   0.195156D+01 -0.300108D+01  0.262745D+01  0.140379D+01 -0.159743D+01
      5  -0.185990D+01  0.416788D+01 -0.496491D+01 -0.175477D+01  0.415658D+01
      6   0.506645D+01 -0.726067D+01 -0.183090D+01  0.194338D+00  0.484111D+00
               211           212           213           214           215 
      1   0.254126D+01 -0.399977D+01  0.425063D+01 -0.218857D+01  0.477979D+01
      2  -0.446710D+01  0.581547D+00  0.179350D+01  0.330678D+01  0.136362D+00
      3   0.192584D+01  0.341823D+01 -0.604413D+01 -0.111820D+01 -0.491616D+01
      4  -0.213597D+01  0.153704D+01 -0.235656D+01 -0.352217D+01 -0.354917D+01
      5  -0.505100D+01 -0.338969D+01  0.687833D+01  0.716034D+01  0.564472D+01
      6   0.146856D+01 -0.289554D+01  0.405547D+01  0.244224D+01  0.624391D+01
               216           217           218           219           220 
      1  -0.185447D+02  0.157340D+02 -0.589362D+01 -0.634272D+01 -0.183505D+02
      2  -0.717832D+01 -0.110996D+02  0.369986D+01  0.508567D+01  0.122636D+02
      3   0.257230D+02 -0.463435D+01  0.219376D+01  0.125705D+01  0.608685D+01
      4   0.436257D+01 -0.643730D+01  0.366918D+01  0.494050D+01  0.121375D+02
      5  -0.202125D+02 -0.788460D+01  0.563177D+01  0.110600D+02  0.161805D+02
      6  -0.645978D+01  0.253018D+01 -0.379391D+00 -0.612551D+00 -0.418324D+01
               221           222           223           224           225 
      1   0.135958D+01  0.526655D+01 -0.232064D+02 -0.359355D+00  0.935817D+01
      2  -0.146267D+01 -0.983056D+01  0.179960D+02 -0.490970D+01 -0.223880D+02
      3   0.103094D+00  0.456401D+01  0.521048D+01  0.526906D+01  0.130299D+02
      4  -0.126399D+02 -0.190224D+02  0.437134D+01 -0.190568D+02 -0.161192D+02
      5  -0.177214D+02 -0.258423D+02  0.333336D+02 -0.146430D+02 -0.571452D+02
      6   0.548865D+01  0.842802D+01 -0.261991D+01  0.688849D+01  0.625158D+01
               226           227           228           229           230 
      1   0.992638D+02  0.187860D+01  0.226874D+02 -0.598743D+01  0.823867D+01
      2  -0.473371D+02  0.215874D+00 -0.961740D+01  0.391812D+01 -0.242165D+01
      3  -0.519267D+02 -0.209447D+01 -0.130700D+02  0.206930D+01 -0.581703D+01
      4   0.653473D+01  0.133072D+02  0.249138D+01  0.130656D+02  0.276885D+01
      5   0.183983D+02  0.160205D+01  0.172601D+02  0.525363D+00  0.141813D+01
      6   0.298751D+01 -0.175818D+00  0.189344D+01  0.235498D+00 -0.615658D+00
               231           232           233           234           235 
      1   0.388423D+00  0.502661D+02  0.256492D+01  0.187815D+02  0.308206D+01
      2  -0.868818D+00 -0.238464D+02 -0.113053D+01 -0.106732D+02 -0.303100D+00
      3   0.480395D+00 -0.264198D+02 -0.143440D+01 -0.810830D+01 -0.277896D+01
      4   0.179679D+01  0.500318D+01  0.728868D+01  0.226151D+00  0.269253D+01
      5  -0.264003D+01  0.218309D+02 -0.291175D+00  0.158314D+02  0.285176D+01
      6   0.220904D+01  0.253288D+01  0.168904D+01  0.241605D+01 -0.184911D+01
               236           237           238           239           240 
      1   0.796913D+01  0.430967D+00  0.211858D+02 -0.943951D+01  0.301875D+01
      2  -0.568230D+01  0.314634D-01 -0.616828D+01  0.224811D+02 -0.467983D+01
      3  -0.228683D+01 -0.462431D+00 -0.150175D+02 -0.130416D+02  0.166108D+01
      4  -0.687454D+00  0.169494D+01  0.212314D+02  0.602109D+02 -0.210514D+02
      5   0.102102D+01 -0.156383D+00 -0.900033D+01 -0.194026D+02  0.148528D+02
      6   0.135605D+01 -0.159268D+01 -0.459192D+01 -0.168811D+02  0.112474D+02
               241           242           243 
      1  -0.609201D+01  0.350586D+01  0.134564D+01
      2   0.342545D+01 -0.313438D+01 -0.152206D+01
      3   0.266656D+01 -0.371478D+00  0.176414D+00
      4  -0.383768D+01 -0.161920D+02  0.106598D+02
      5   0.127347D+02  0.109124D+02 -0.170438D+02
      6   0.188317D+01  0.945825D+01 -0.587829D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.123407D+01      0.313669D+01      0.104629D+02
   x         -0.691470D+00     -0.175754D+01     -0.586253D+01
   y          0.308382D+00      0.783828D+00      0.261457D+01
   z         -0.974522D+00     -0.247699D+01     -0.826234D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.125130D+03      0.185423D+02      0.206311D+02
   aniso      0.566247D+02      0.839092D+01      0.933616D+01
   xx         0.161954D+03      0.239991D+02      0.267026D+02
   yx         0.539450D+01      0.799383D+00      0.889434D+00
   yy         0.104291D+03      0.154544D+02      0.171953D+02
   zx        -0.277386D+01     -0.411043D+00     -0.457347D+00
   zy        -0.301374D+01     -0.446590D+00     -0.496899D+00
   zz         0.109144D+03      0.161735D+02      0.179955D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.132897D+03      0.196933D+02      0.219118D+02
   aniso      0.624912D+02      0.926025D+01      0.103034D+02
   xx         0.173660D+03      0.257338D+02      0.286327D+02
   yx         0.588366D+01      0.871869D+00      0.970085D+00
   yy         0.110420D+03      0.163626D+02      0.182059D+02
   zx        -0.280634D+01     -0.415857D+00     -0.462703D+00
   zy        -0.293126D+01     -0.434367D+00     -0.483299D+00
   zz         0.114610D+03      0.169835D+02      0.188967D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -4.47003587         -1.55170563         -0.14292920
     6         -3.17181872         -0.51541034          2.21084510
     6         -0.77111491          1.15060717          1.59450997
     6          0.66859704          0.65979770         -0.74467458
     6          3.10824202          0.02707780         -0.85801554
     6          4.40266170         -0.45926070         -3.29830993
     8          3.32022049         -0.31998661         -5.31906242
     6         -2.72446495         -2.60046238          4.12911090
     6         -4.47705279          1.93040096          3.18411819
     6         -2.50220805          3.51604622          1.73593716
     6          7.17124817         -1.14545872         -3.12985568
     1         -4.28457458          2.13565878          5.22637184
     1         -6.45807385          2.18504040          2.67893685
     1          0.49184684          1.10174215          3.22626510
     1         -3.16702927          4.07854473         -0.13092037
     1         -1.71674391          5.16969495          2.67562958
     1         -4.83542943         -0.07993794         -1.54017085
     1         -6.28577299         -2.38877203          0.37077317
     1         -3.32727180         -3.01218529         -1.04791291
     1         -1.50561697         -4.07288662          3.34530268
     1         -4.50723066         -3.48641399          4.68169538
     1         -1.82450685         -1.86588607          5.83436726
     1         -0.33566003          0.81103852         -2.52907238
     1          4.21987844         -0.14603612          0.85714660
     1          8.22104849          0.36948520         -2.19585100
     1          7.93654250         -1.46694317         -5.00912134
     1          7.41248586         -2.84206233         -1.97536526

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.123407D+01      0.313669D+01      0.104629D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.123407D+01      0.313669D+01      0.104629D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.125130D+03      0.185423D+02      0.206311D+02
   aniso      0.566247D+02      0.839092D+01      0.933616D+01
   xx         0.148545D+03      0.220120D+02      0.244917D+02
   yx        -0.848723D+01     -0.125768D+01     -0.139936D+01
   yy         0.104200D+03      0.154408D+02      0.171802D+02
   zx        -0.220757D+02     -0.327128D+01     -0.363979D+01
   zy         0.362876D+01      0.537726D+00      0.598301D+00
   zz         0.122645D+03      0.181742D+02      0.202215D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.132897D+03      0.196933D+02      0.219118D+02
   aniso      0.624912D+02      0.926025D+01      0.103034D+02
   xx         0.158344D+03      0.234641D+02      0.261073D+02
   yx        -0.928389D+01     -0.137573D+01     -0.153071D+01
   yy         0.110434D+03      0.163646D+02      0.182081D+02
   zx        -0.248723D+02     -0.368569D+01     -0.410088D+01
   zy         0.404848D+01      0.599923D+00      0.667505D+00
   zz         0.129914D+03      0.192512D+02      0.214199D+02

 ----------------------------------------------------------------------
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 FOR THE NATURE OF THE CHEMICAL BOND
 IS THE PROBLEM AT THE HEART OF ALL CHEMISTRY.

                     -- BRYCE CRAWFORD, JR., 1953
 Job cpu time:       0 days 15 hours 32 minutes 25.0 seconds.
 Elapsed time:       0 days  1 hours 56 minutes 42.5 seconds.
 File lengths (MBytes):  RWF=    454 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 12:43:51 2021.
